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Database: PDB
Entry: 4N05
LinkDB: 4N05
Original site: 4N05 
HEADER    UNKNOWN FUNCTION                        01-OCT-13   4N05              
TITLE     THE CRYSTAL STRUCTURE OF R43A MUTANT PUTATIVE RYANODINE RECEPTOR FROM 
TITLE    2 BACTEROIDES THETAIOTAOMICRON VPI-5482                                
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: PUTATIVE RYANODINE RECEPTOR;                               
COMPND   3 CHAIN: B, A, C, D, E, F;                                             
COMPND   4 ENGINEERED: YES;                                                     
COMPND   5 MUTATION: YES                                                        
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON;                   
SOURCE   3 ORGANISM_TAXID: 226186;                                              
SOURCE   4 STRAIN: VPI-5482;                                                    
SOURCE   5 GENE: BT_2247;                                                       
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)MAGIC;                            
SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PMCSG7                                    
KEYWDS    STRUCTURAL GENOMICS, PSI-BIOLOGY, PROTEIN STRUCTURE INITIATIVE,       
KEYWDS   2 MIDWEST CENTER FOR STRUCTURAL GENOMICS, MCSG, PUTATIVE RYANODINE     
KEYWDS   3 RECEPTOR, ALPHA FOLD, UNKNOWN FUNCTION                               
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    R.WU,R.JEDRZEJCZAK,A.JOACHIMIAK,MIDWEST CENTER FOR STRUCTURAL         
AUTHOR   2 GENOMICS (MCSG)                                                      
REVDAT   1   04-DEC-13 4N05    0                                                
JRNL        AUTH   R.WU,R.JEDRZEJCZAK,A.JOACHIMIAK,                             
JRNL        AUTH 2 MIDWEST CENTER FOR STRUCTURAL GENOMICS (MCSG)                
JRNL        TITL   THE CRYSTAL STRUCTURE OF R43A MUTANT PUTATIVE RYANODINE      
JRNL        TITL 2 RECEPTOR FROM BACTEROIDES THETAIOTAOMICRON VPI-5482          
JRNL        REF    TO BE PUBLISHED                                              
JRNL        REFN                                                                
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.60 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX (PHENIX.REFINE: 1.8.2_1309)                   
REMARK   3   AUTHORS     : PAUL ADAMS,PAVEL AFONINE,VICENT CHEN,IAN             
REMARK   3               : DAVIS,KRESHNA GOPAL,RALF GROSSE-                     
REMARK   3               : KUNSTLEVE,LI-WEI HUNG,ROBERT IMMORMINO,              
REMARK   3               : TOM IOERGER,AIRLIE MCCOY,ERIK MCKEE,NIGEL            
REMARK   3               : MORIARTY,REETAL PAI,RANDY READ,JANE                  
REMARK   3               : RICHARDSON,DAVID RICHARDSON,TOD ROMO,JIM             
REMARK   3               : SACCHETTINI,NICHOLAS SAUTER,JACOB SMITH,             
REMARK   3               : LAURENT STORONI,TOM TERWILLIGER,PETER                
REMARK   3               : ZWART                                                
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : ML                                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.60                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 42.12                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.340                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 96.2                           
REMARK   3   NUMBER OF REFLECTIONS             : 26676                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.188                           
REMARK   3   R VALUE            (WORKING SET) : 0.184                           
REMARK   3   FREE R VALUE                     : 0.250                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 4.970                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 1325                            
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT (IN BINS).                           
REMARK   3   BIN  RESOLUTION RANGE  COMPL.    NWORK NFREE   RWORK  RFREE        
REMARK   3     1 42.1252 -  5.4150    0.93     2815   133  0.2004 0.2268        
REMARK   3     2  5.4150 -  4.2994    0.95     2793   149  0.1604 0.2227        
REMARK   3     3  4.2994 -  3.7563    0.97     2853   140  0.1542 0.2485        
REMARK   3     4  3.7563 -  3.4130    0.98     2821   161  0.1755 0.2204        
REMARK   3     5  3.4130 -  3.1685    0.98     2923   144  0.1822 0.2967        
REMARK   3     6  3.1685 -  2.9817    0.98     2806   154  0.2042 0.2736        
REMARK   3     7  2.9817 -  2.8324    0.98     2885   153  0.2160 0.2767        
REMARK   3     8  2.8324 -  2.7092    0.98     2808   163  0.2322 0.3331        
REMARK   3     9  2.7092 -  2.6049    0.91     2647   128  0.2206 0.2898        
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED        : FLAT BULK SOLVENT MODEL                       
REMARK   3   SOLVENT RADIUS     : 1.11                                          
REMARK   3   SHRINKAGE RADIUS   : 0.90                                          
REMARK   3   K_SOL              : NULL                                          
REMARK   3   B_SOL              : NULL                                          
REMARK   3                                                                      
REMARK   3  ERROR ESTIMATES.                                                    
REMARK   3   COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED)     : 0.340            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 26.250           
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : NULL                           
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : NULL                                                 
REMARK   3    B22 (A**2) : NULL                                                 
REMARK   3    B33 (A**2) : NULL                                                 
REMARK   3    B12 (A**2) : NULL                                                 
REMARK   3    B13 (A**2) : NULL                                                 
REMARK   3    B23 (A**2) : NULL                                                 
REMARK   3                                                                      
REMARK   3  TWINNING INFORMATION.                                               
REMARK   3   FRACTION: NULL                                                     
REMARK   3   OPERATOR: NULL                                                     
REMARK   3                                                                      
REMARK   3  DEVIATIONS FROM IDEAL VALUES.                                       
REMARK   3                 RMSD          COUNT                                  
REMARK   3   BOND      :  0.008           4753                                  
REMARK   3   ANGLE     :  1.045           6418                                  
REMARK   3   CHIRALITY :  0.072            681                                  
REMARK   3   PLANARITY :  0.005            834                                  
REMARK   3   DIHEDRAL  : 16.156           1861                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 36                                         
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: chain 'B' and (resid 7 through 21 )                    
REMARK   3    ORIGIN FOR THE GROUP (A):  -2.9017  13.8310  25.9646              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4493 T22:   0.4296                                     
REMARK   3      T33:   0.3929 T12:   0.0013                                     
REMARK   3      T13:  -0.0091 T23:  -0.0288                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0923 L22:   0.1814                                     
REMARK   3      L33:   0.0398 L12:   0.0299                                     
REMARK   3      L13:   0.0972 L23:   0.0519                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1833 S12:   0.2883 S13:  -0.0307                       
REMARK   3      S21:  -0.3924 S22:  -0.1989 S23:   0.2621                       
REMARK   3      S31:  -0.6911 S32:  -0.1350 S33:  -0.0001                       
REMARK   3   TLS GROUP : 2                                                      
REMARK   3    SELECTION: chain 'B' and (resid 22 through 56 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): -11.8086  -7.6260  28.8402              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4009 T22:   0.3652                                     
REMARK   3      T33:   0.3007 T12:   0.0026                                     
REMARK   3      T13:   0.0389 T23:   0.0339                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.3761 L22:   0.1838                                     
REMARK   3      L33:   0.3212 L12:   0.1246                                     
REMARK   3      L13:   0.3167 L23:  -0.0302                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0962 S12:  -0.0719 S13:  -0.0770                       
REMARK   3      S21:   0.0242 S22:  -0.1389 S23:   0.0326                       
REMARK   3      S31:  -0.0132 S32:   0.0109 S33:   0.0001                       
REMARK   3   TLS GROUP : 3                                                      
REMARK   3    SELECTION: chain 'B' and (resid 57 through 71 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): -19.3440  -8.6976  31.4055              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4260 T22:   0.4887                                     
REMARK   3      T33:   0.3655 T12:  -0.0887                                     
REMARK   3      T13:   0.0255 T23:  -0.0148                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1342 L22:   0.1705                                     
REMARK   3      L33:   0.0655 L12:  -0.0066                                     
REMARK   3      L13:   0.1020 L23:  -0.0577                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1107 S12:   0.0588 S13:  -0.0001                       
REMARK   3      S21:   0.0570 S22:   0.1402 S23:   0.2119                       
REMARK   3      S31:  -0.1397 S32:  -0.4584 S33:  -0.0000                       
REMARK   3   TLS GROUP : 4                                                      
REMARK   3    SELECTION: chain 'B' and (resid 72 through 92 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  -5.9612   3.3532  22.8827              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3798 T22:   0.2593                                     
REMARK   3      T33:   0.3242 T12:   0.0263                                     
REMARK   3      T13:  -0.0244 T23:   0.0234                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1194 L22:   0.1312                                     
REMARK   3      L33:   0.3336 L12:   0.0222                                     
REMARK   3      L13:  -0.0913 L23:  -0.2143                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1316 S12:   0.4980 S13:   0.5916                       
REMARK   3      S21:   0.3301 S22:  -0.1916 S23:   0.0977                       
REMARK   3      S31:  -0.0624 S32:  -0.6033 S33:  -0.0013                       
REMARK   3   TLS GROUP : 5                                                      
REMARK   3    SELECTION: chain 'B' and (resid 93 through 99 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  10.1821   0.2633  17.0646              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3972 T22:   0.5233                                     
REMARK   3      T33:   0.4306 T12:  -0.0184                                     
REMARK   3      T13:  -0.0203 T23:   0.0266                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0040 L22:   0.0485                                     
REMARK   3      L33:   0.0350 L12:  -0.0443                                     
REMARK   3      L13:   0.0047 L23:   0.0273                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1753 S12:   0.2391 S13:   0.0361                       
REMARK   3      S21:   0.4432 S22:  -0.0118 S23:  -0.0022                       
REMARK   3      S31:  -0.0890 S32:  -0.0767 S33:  -0.0003                       
REMARK   3   TLS GROUP : 6                                                      
REMARK   3    SELECTION: chain 'A' and (resid 7 through 21 )                    
REMARK   3    ORIGIN FOR THE GROUP (A):  -1.4389 -13.9229  28.1207              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4205 T22:   0.5264                                     
REMARK   3      T33:   0.4147 T12:  -0.0117                                     
REMARK   3      T13:   0.0026 T23:  -0.0095                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  -0.0043 L22:   0.1527                                     
REMARK   3      L33:  -0.0253 L12:   0.0660                                     
REMARK   3      L13:   0.0240 L23:  -0.0441                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1104 S12:  -0.1634 S13:  -0.5964                       
REMARK   3      S21:  -0.0147 S22:  -0.1385 S23:  -0.1857                       
REMARK   3      S31:   0.1248 S32:   0.1417 S33:   0.0000                       
REMARK   3   TLS GROUP : 7                                                      
REMARK   3    SELECTION: chain 'A' and (resid 22 through 51 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  -4.8048   8.0648  33.7705              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2459 T22:   0.2652                                     
REMARK   3      T33:   0.3801 T12:   0.0395                                     
REMARK   3      T13:  -0.0039 T23:  -0.0242                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0625 L22:   0.2493                                     
REMARK   3      L33:   0.4557 L12:  -0.0643                                     
REMARK   3      L13:   0.1535 L23:   0.0837                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2234 S12:  -0.0955 S13:   0.0614                       
REMARK   3      S21:  -0.0986 S22:  -0.2039 S23:  -0.0080                       
REMARK   3      S31:  -0.1454 S32:  -0.0073 S33:   0.0000                       
REMARK   3   TLS GROUP : 8                                                      
REMARK   3    SELECTION: chain 'A' and (resid 52 through 66 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): -18.5265   7.4946  41.8757              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3803 T22:   0.5719                                     
REMARK   3      T33:   0.4540 T12:  -0.0219                                     
REMARK   3      T13:   0.0245 T23:  -0.0405                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0453 L22:   0.1186                                     
REMARK   3      L33:  -0.0001 L12:  -0.0562                                     
REMARK   3      L13:  -0.0042 L23:   0.0482                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1756 S12:  -0.3958 S13:  -0.0261                       
REMARK   3      S21:   0.5814 S22:   0.2570 S23:   0.0154                       
REMARK   3      S31:   0.2105 S32:  -0.4975 S33:   0.0001                       
REMARK   3   TLS GROUP : 9                                                      
REMARK   3    SELECTION: chain 'A' and (resid 67 through 91 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  -0.4420  -0.9485  34.6981              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3129 T22:   0.3592                                     
REMARK   3      T33:   0.3583 T12:  -0.0008                                     
REMARK   3      T13:  -0.0512 T23:  -0.0033                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.2418 L22:   0.1400                                     
REMARK   3      L33:   0.2836 L12:  -0.2135                                     
REMARK   3      L13:   0.0912 L23:  -0.2502                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0661 S12:  -0.1824 S13:   0.0347                       
REMARK   3      S21:   0.0098 S22:   0.0184 S23:   0.1747                       
REMARK   3      S31:   0.2081 S32:   0.0107 S33:   0.0000                       
REMARK   3   TLS GROUP : 10                                                     
REMARK   3    SELECTION: chain 'A' and (resid 92 through 100 )                  
REMARK   3    ORIGIN FOR THE GROUP (A):  11.5710  -0.2106  19.1366              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3832 T22:   0.6354                                     
REMARK   3      T33:   0.5164 T12:  -0.0002                                     
REMARK   3      T13:   0.0453 T23:   0.1027                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0340 L22:   0.2341                                     
REMARK   3      L33:   0.0360 L12:  -0.0695                                     
REMARK   3      L13:   0.0201 L23:  -0.0805                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1236 S12:   0.1138 S13:   0.1409                       
REMARK   3      S21:  -0.5188 S22:  -0.6652 S23:  -0.2624                       
REMARK   3      S31:   0.2810 S32:   0.8835 S33:  -0.0181                       
REMARK   3   TLS GROUP : 11                                                     
REMARK   3    SELECTION: chain 'C' and (resid 7 through 46 )                    
REMARK   3    ORIGIN FOR THE GROUP (A):  -8.9432  -5.4433   1.3964              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4266 T22:   0.3951                                     
REMARK   3      T33:   0.2581 T12:  -0.0556                                     
REMARK   3      T13:   0.0161 T23:   0.0118                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0448 L22:  -0.1673                                     
REMARK   3      L33:   0.8886 L12:  -0.1428                                     
REMARK   3      L13:   0.2093 L23:  -0.0677                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0298 S12:   0.0411 S13:  -0.0256                       
REMARK   3      S21:   0.0175 S22:   0.1701 S23:  -0.0828                       
REMARK   3      S31:   0.3082 S32:  -0.0568 S33:  -0.0001                       
REMARK   3   TLS GROUP : 12                                                     
REMARK   3    SELECTION: chain 'C' and (resid 47 through 66 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  -9.0292 -26.7940  -1.1162              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.3781 T22:   0.2032                                     
REMARK   3      T33:   0.7456 T12:  -0.3171                                     
REMARK   3      T13:   0.5920 T23:  -0.6897                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1199 L22:   0.1393                                     
REMARK   3      L33:   0.0944 L12:  -0.1981                                     
REMARK   3      L13:  -0.0226 L23:   0.0848                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1386 S12:   0.0072 S13:  -0.6042                       
REMARK   3      S21:  -0.4544 S22:   0.5511 S23:  -0.0455                       
REMARK   3      S31:   0.2171 S32:   0.2238 S33:   0.2162                       
REMARK   3   TLS GROUP : 13                                                     
REMARK   3    SELECTION: chain 'C' and (resid 67 through 91 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  -6.0416  -6.6324   3.8975              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4516 T22:   0.4363                                     
REMARK   3      T33:   0.3193 T12:   0.0001                                     
REMARK   3      T13:   0.0507 T23:  -0.0121                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.3954 L22:   0.1587                                     
REMARK   3      L33:   0.2310 L12:   0.2717                                     
REMARK   3      L13:   0.2723 L23:   0.2158                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0498 S12:   0.0270 S13:  -0.0588                       
REMARK   3      S21:   0.2616 S22:   0.0032 S23:   0.0100                       
REMARK   3      S31:   0.0461 S32:   0.3788 S33:   0.0001                       
REMARK   3   TLS GROUP : 14                                                     
REMARK   3    SELECTION: chain 'C' and (resid 92 through 100 )                  
REMARK   3    ORIGIN FOR THE GROUP (A): -16.7724   9.6373   4.6152              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5261 T22:   0.2932                                     
REMARK   3      T33:   0.2570 T12:   0.0173                                     
REMARK   3      T13:  -0.0200 T23:  -0.0592                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.7086 L22:   0.0031                                     
REMARK   3      L33:   0.6751 L12:   0.0102                                     
REMARK   3      L13:   0.6846 L23:   0.0041                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1325 S12:  -0.6853 S13:   0.5879                       
REMARK   3      S21:   0.0616 S22:   0.0053 S23:  -0.1706                       
REMARK   3      S31:  -0.4634 S32:  -0.3068 S33:  -0.0154                       
REMARK   3   TLS GROUP : 15                                                     
REMARK   3    SELECTION: chain 'D' and (resid 8 through 21 )                    
REMARK   3    ORIGIN FOR THE GROUP (A): -23.1279  -9.8808   4.6309              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5540 T22:   0.5465                                     
REMARK   3      T33:   0.5117 T12:  -0.0118                                     
REMARK   3      T13:  -0.0530 T23:   0.0174                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1016 L22:   0.0478                                     
REMARK   3      L33:   0.2075 L12:  -0.0560                                     
REMARK   3      L13:  -0.1822 L23:   0.1113                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0228 S12:   0.1387 S13:  -0.3630                       
REMARK   3      S21:  -0.6771 S22:   0.4229 S23:   0.3777                       
REMARK   3      S31:   0.4486 S32:  -0.6848 S33:   0.0000                       
REMARK   3   TLS GROUP : 16                                                     
REMARK   3    SELECTION: chain 'D' and (resid 22 through 56 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  -4.2061  -6.9222  -9.1758              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3608 T22:   0.5864                                     
REMARK   3      T33:   0.3370 T12:   0.0643                                     
REMARK   3      T13:   0.0816 T23:   0.0436                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.2890 L22:   0.7481                                     
REMARK   3      L33:   0.3307 L12:   0.3803                                     
REMARK   3      L13:  -0.0625 L23:   0.0358                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1105 S12:  -0.1962 S13:  -0.1114                       
REMARK   3      S21:  -0.5881 S22:  -0.2361 S23:   0.0129                       
REMARK   3      S31:   0.1143 S32:   0.2624 S33:  -0.0215                       
REMARK   3   TLS GROUP : 17                                                     
REMARK   3    SELECTION: chain 'D' and (resid 57 through 66 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):   2.7478 -16.3957 -10.3778              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5566 T22:   0.5974                                     
REMARK   3      T33:   0.7407 T12:   0.2401                                     
REMARK   3      T13:   0.1835 T23:  -0.0138                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  -0.0033 L22:   0.0563                                     
REMARK   3      L33:   0.0310 L12:   0.0026                                     
REMARK   3      L13:   0.0183 L23:   0.0522                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1021 S12:   0.1755 S13:   0.0445                       
REMARK   3      S21:   0.0508 S22:   0.4193 S23:   0.2196                       
REMARK   3      S31:  -0.0063 S32:   0.2663 S33:  -0.0000                       
REMARK   3   TLS GROUP : 18                                                     
REMARK   3    SELECTION: chain 'D' and (resid 67 through 92 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): -14.7085  -6.9736  -6.2270              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3715 T22:   0.2829                                     
REMARK   3      T33:   0.3037 T12:   0.0145                                     
REMARK   3      T13:  -0.0062 T23:   0.0158                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.3074 L22:   0.1378                                     
REMARK   3      L33:   0.0773 L12:   0.2102                                     
REMARK   3      L13:   0.1453 L23:   0.1619                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1536 S12:   0.1629 S13:  -0.2377                       
REMARK   3      S21:  -0.1275 S22:  -0.0690 S23:   0.0887                       
REMARK   3      S31:  -0.1009 S32:  -0.1059 S33:   0.0002                       
REMARK   3   TLS GROUP : 19                                                     
REMARK   3    SELECTION: chain 'D' and (resid 93 through 100 )                  
REMARK   3    ORIGIN FOR THE GROUP (A): -19.0976  10.3225   1.7773              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6153 T22:   0.2668                                     
REMARK   3      T33:   0.4060 T12:   0.1018                                     
REMARK   3      T13:  -0.1497 T23:  -0.0833                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.7763 L22:   1.4623                                     
REMARK   3      L33:   1.2088 L12:  -0.3873                                     
REMARK   3      L13:   0.5780 L23:  -1.3383                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2965 S12:  -0.4946 S13:   0.5608                       
REMARK   3      S21:   0.2865 S22:   0.2840 S23:   0.6391                       
REMARK   3      S31:  -1.2253 S32:  -0.2373 S33:  -0.2021                       
REMARK   3   TLS GROUP : 20                                                     
REMARK   3    SELECTION: chain 'E' and (resid 7 through 21 )                    
REMARK   3    ORIGIN FOR THE GROUP (A):  29.4346  -2.8067  37.2872              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2726 T22:   0.6212                                     
REMARK   3      T33:   0.5101 T12:  -0.0581                                     
REMARK   3      T13:   0.0092 T23:   0.0100                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.2010 L22:   0.0241                                     
REMARK   3      L33:   0.0912 L12:  -0.1243                                     
REMARK   3      L13:   0.0966 L23:  -0.1778                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0982 S12:   0.4629 S13:  -0.3167                       
REMARK   3      S21:  -0.0142 S22:   0.1040 S23:  -0.0509                       
REMARK   3      S31:   0.1226 S32:   0.2964 S33:   0.0084                       
REMARK   3   TLS GROUP : 21                                                     
REMARK   3    SELECTION: chain 'E' and (resid 22 through 51 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  14.2715  13.1928  45.8463              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2233 T22:   0.2888                                     
REMARK   3      T33:   0.5735 T12:   0.0933                                     
REMARK   3      T13:   0.0677 T23:  -0.2169                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.7477 L22:   0.3154                                     
REMARK   3      L33:   1.5329 L12:  -0.2258                                     
REMARK   3      L13:   0.1568 L23:   0.1159                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0098 S12:  -0.2500 S13:   0.3998                       
REMARK   3      S21:   0.2166 S22:   0.7347 S23:  -0.6956                       
REMARK   3      S31:  -0.0042 S32:  -0.1762 S33:   0.3351                       
REMARK   3   TLS GROUP : 22                                                     
REMARK   3    SELECTION: chain 'E' and (resid 52 through 56 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  25.1058  27.4769  40.2185              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.1777 T22:   0.8309                                     
REMARK   3      T33:   2.1566 T12:  -0.1216                                     
REMARK   3      T13:   0.1744 T23:  -0.1896                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0036 L22:   0.0032                                     
REMARK   3      L33:   0.0116 L12:  -0.0040                                     
REMARK   3      L13:  -0.0059 L23:   0.0029                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2189 S12:   0.0973 S13:  -0.4980                       
REMARK   3      S21:  -0.2622 S22:  -0.2463 S23:  -0.2352                       
REMARK   3      S31:  -0.1127 S32:  -0.1052 S33:  -0.0007                       
REMARK   3   TLS GROUP : 23                                                     
REMARK   3    SELECTION: chain 'E' and (resid 57 through 66 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  20.8432  25.7441  44.3727              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4737 T22:   0.0575                                     
REMARK   3      T33:   1.9277 T12:  -0.2137                                     
REMARK   3      T13:   0.3324 T23:  -0.5484                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.2922 L22:   0.0639                                     
REMARK   3      L33:   0.0249 L12:   0.1220                                     
REMARK   3      L13:  -0.0337 L23:  -0.0666                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0984 S12:   0.1278 S13:   0.0742                       
REMARK   3      S21:  -0.0048 S22:   0.5146 S23:  -0.2240                       
REMARK   3      S31:  -0.1508 S32:   0.1409 S33:   0.1456                       
REMARK   3   TLS GROUP : 24                                                     
REMARK   3    SELECTION: chain 'E' and (resid 67 through 91 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  18.0495   6.5249  38.9114              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3225 T22:   0.4995                                     
REMARK   3      T33:   0.4630 T12:   0.0246                                     
REMARK   3      T13:  -0.0436 T23:   0.0157                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.3422 L22:   0.2764                                     
REMARK   3      L33:   0.5400 L12:   0.1086                                     
REMARK   3      L13:  -0.3392 L23:   0.1895                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0725 S12:   0.1569 S13:   0.3505                       
REMARK   3      S21:  -0.3806 S22:  -0.0589 S23:  -0.0908                       
REMARK   3      S31:   0.2140 S32:  -0.0474 S33:  -0.0001                       
REMARK   3   TLS GROUP : 25                                                     
REMARK   3    SELECTION: chain 'E' and (resid 92 through 100 )                  
REMARK   3    ORIGIN FOR THE GROUP (A):  13.4421  -9.6641  48.9133              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4562 T22:   0.4207                                     
REMARK   3      T33:   0.5159 T12:  -0.1024                                     
REMARK   3      T13:  -0.0325 T23:   0.0931                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0627 L22:   0.1254                                     
REMARK   3      L33:   0.7514 L12:   0.0889                                     
REMARK   3      L13:   0.2292 L23:   0.2962                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0591 S12:  -0.0664 S13:  -0.5511                       
REMARK   3      S21:   0.3230 S22:   0.0567 S23:  -0.0017                       
REMARK   3      S31:   1.0229 S32:  -0.5747 S33:   0.0184                       
REMARK   3   TLS GROUP : 26                                                     
REMARK   3    SELECTION: chain 'F' and (resid 8 through 17 )                    
REMARK   3    ORIGIN FOR THE GROUP (A):   9.5407  13.6256  53.3918              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6504 T22:   0.4690                                     
REMARK   3      T33:   0.5873 T12:   0.0661                                     
REMARK   3      T13:  -0.0704 T23:  -0.0366                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0413 L22:   0.0202                                     
REMARK   3      L33:   0.0272 L12:  -0.0406                                     
REMARK   3      L13:  -0.0694 L23:   0.0305                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0069 S12:  -0.6605 S13:   0.7216                       
REMARK   3      S21:  -0.0208 S22:   0.4161 S23:   0.2628                       
REMARK   3      S31:  -0.0417 S32:   0.2688 S33:  -0.0004                       
REMARK   3   TLS GROUP : 27                                                     
REMARK   3    SELECTION: chain 'F' and (resid 18 through 27 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  21.6051  -2.8675  57.4810              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3743 T22:   0.5331                                     
REMARK   3      T33:   0.2794 T12:  -0.0395                                     
REMARK   3      T13:  -0.0753 T23:  -0.0151                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0155 L22:   0.1149                                     
REMARK   3      L33:   0.0405 L12:   0.0382                                     
REMARK   3      L13:   0.0015 L23:  -0.0420                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1681 S12:  -0.4733 S13:  -0.3068                       
REMARK   3      S21:   0.2774 S22:   0.2012 S23:   0.1338                       
REMARK   3      S31:   0.0419 S32:  -0.6808 S33:  -0.0000                       
REMARK   3   TLS GROUP : 28                                                     
REMARK   3    SELECTION: chain 'F' and (resid 28 through 37 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  30.5212   1.7444  46.0791              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2912 T22:   0.6037                                     
REMARK   3      T33:   0.3632 T12:  -0.0023                                     
REMARK   3      T13:   0.0018 T23:   0.0245                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0643 L22:   0.0191                                     
REMARK   3      L33:   0.0079 L12:   0.0111                                     
REMARK   3      L13:  -0.0293 L23:   0.0175                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.4056 S12:   0.1565 S13:  -0.4392                       
REMARK   3      S21:   0.1127 S22:  -0.2870 S23:  -0.2200                       
REMARK   3      S31:  -0.0572 S32:   0.5443 S33:  -0.0004                       
REMARK   3   TLS GROUP : 29                                                     
REMARK   3    SELECTION: chain 'F' and (resid 38 through 48 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  31.6898   8.6107  32.5887              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3454 T22:   1.4338                                     
REMARK   3      T33:   0.1705 T12:   0.0695                                     
REMARK   3      T13:   0.3902 T23:   0.7714                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1876 L22:   0.1361                                     
REMARK   3      L33:   1.0549 L12:   0.1688                                     
REMARK   3      L13:  -0.4231 L23:  -0.3681                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2092 S12:   0.3537 S13:  -0.0121                       
REMARK   3      S21:  -0.5212 S22:  -0.0752 S23:  -0.4311                       
REMARK   3      S31:   0.1137 S32:   0.1159 S33:  -0.2508                       
REMARK   3   TLS GROUP : 30                                                     
REMARK   3    SELECTION: chain 'F' and (resid 49 through 59 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  34.9374  20.5332  34.6696              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.8046 T22:   0.9635                                     
REMARK   3      T33:   1.2081 T12:  -0.1524                                     
REMARK   3      T13:   0.0999 T23:   0.0983                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0023 L22:   0.0035                                     
REMARK   3      L33:   0.0034 L12:   0.0131                                     
REMARK   3      L13:  -0.0136 L23:   0.0083                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.6929 S12:  -0.0831 S13:   0.7413                       
REMARK   3      S21:  -0.0670 S22:   0.2171 S23:  -0.3506                       
REMARK   3      S31:   0.3119 S32:  -0.0033 S33:   0.0002                       
REMARK   3   TLS GROUP : 31                                                     
REMARK   3    SELECTION: chain 'F' and (resid 60 through 64 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  34.4083  15.7867  38.2527              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.8644 T22:   0.5191                                     
REMARK   3      T33:   0.9290 T12:   0.0846                                     
REMARK   3      T13:   0.6482 T23:   1.0140                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1346 L22:   0.0561                                     
REMARK   3      L33:   0.0816 L12:   0.0948                                     
REMARK   3      L13:   0.0847 L23:   0.0584                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0772 S12:  -0.0014 S13:  -0.0931                       
REMARK   3      S21:  -0.0819 S22:  -0.0019 S23:   0.1142                       
REMARK   3      S31:  -0.0973 S32:   0.0072 S33:  -0.0053                       
REMARK   3   TLS GROUP : 32                                                     
REMARK   3    SELECTION: chain 'F' and (resid 65 through 74 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  35.7913  10.3934  48.3305              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4980 T22:   0.6958                                     
REMARK   3      T33:   0.5703 T12:  -0.0928                                     
REMARK   3      T13:   0.0381 T23:   0.0377                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  -0.0007 L22:   0.0135                                     
REMARK   3      L33:   0.0417 L12:  -0.0098                                     
REMARK   3      L13:  -0.0162 L23:   0.0080                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2713 S12:   0.3153 S13:   0.5739                       
REMARK   3      S21:   0.2896 S22:  -0.0060 S23:  -0.2280                       
REMARK   3      S31:  -0.0490 S32:   0.6753 S33:   0.0003                       
REMARK   3   TLS GROUP : 33                                                     
REMARK   3    SELECTION: chain 'F' and (resid 75 through 84 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  24.9939   7.7656  51.5860              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3783 T22:   0.4019                                     
REMARK   3      T33:   0.3737 T12:   0.0271                                     
REMARK   3      T13:   0.0122 T23:   0.0307                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0450 L22:   0.0861                                     
REMARK   3      L33:   0.0458 L12:   0.0081                                     
REMARK   3      L13:   0.0224 L23:   0.0873                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.6530 S12:  -0.0820 S13:  -0.2023                       
REMARK   3      S21:   0.2653 S22:  -0.1004 S23:   0.3857                       
REMARK   3      S31:  -0.5340 S32:   0.2806 S33:  -0.0003                       
REMARK   3   TLS GROUP : 34                                                     
REMARK   3    SELECTION: chain 'F' and (resid 85 through 89 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  14.2797   2.6299  50.2192              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2900 T22:   0.1690                                     
REMARK   3      T33:   0.3305 T12:   0.0023                                     
REMARK   3      T13:   0.0139 T23:  -0.0514                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.4388 L22:   0.0378                                     
REMARK   3      L33:   0.6531 L12:  -0.0135                                     
REMARK   3      L13:   0.0898 L23:  -0.1371                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1517 S12:  -0.0301 S13:   0.2795                       
REMARK   3      S21:  -0.1194 S22:   0.3924 S23:  -0.1391                       
REMARK   3      S31:  -0.3005 S32:   0.2740 S33:   0.0392                       
REMARK   3   TLS GROUP : 35                                                     
REMARK   3    SELECTION: chain 'F' and (resid 90 through 94 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):   8.8567  -1.3595  50.6590              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3103 T22:   0.6566                                     
REMARK   3      T33:   0.5063 T12:  -0.0450                                     
REMARK   3      T13:   0.0257 T23:  -0.1032                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0097 L22:   0.0102                                     
REMARK   3      L33:   0.0170 L12:  -0.0016                                     
REMARK   3      L13:  -0.0143 L23:  -0.0174                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1051 S12:  -0.1321 S13:  -0.2452                       
REMARK   3      S21:   0.0304 S22:   0.3538 S23:  -0.1724                       
REMARK   3      S31:  -0.0211 S32:  -0.3112 S33:  -0.0006                       
REMARK   3   TLS GROUP : 36                                                     
REMARK   3    SELECTION: chain 'F' and (resid 95 through 100 )                  
REMARK   3    ORIGIN FOR THE GROUP (A):  17.3714 -12.2569  52.5707              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6271 T22:   0.3792                                     
REMARK   3      T33:   0.6897 T12:  -0.0629                                     
REMARK   3      T13:  -0.2820 T23:  -0.0059                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0222 L22:   0.0389                                     
REMARK   3      L33:   0.0126 L12:   0.0025                                     
REMARK   3      L13:  -0.0020 L23:   0.0129                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0649 S12:  -0.0385 S13:  -0.2242                       
REMARK   3      S21:  -0.2228 S22:  -0.3755 S23:  -0.2933                       
REMARK   3      S31:   0.2732 S32:   0.0269 S33:   0.0006                       
REMARK   3                                                                      
REMARK   3  NCS DETAILS                                                         
REMARK   3   NUMBER OF NCS GROUPS : NULL                                        
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 4N05 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 02-OCT-13.                  
REMARK 100 THE RCSB ID CODE IS RCSB082584.                                      
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 01-JAN-12                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 6.8                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : APS                                
REMARK 200  BEAMLINE                       : 19-ID                              
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.97904                            
REMARK 200  MONOCHROMATOR                  : SI111, CHANNEL                     
REMARK 200  OPTICS                         : MIRRORS                            
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : ADSC QUANTUM 315R                  
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : HKL-3000                           
REMARK 200  DATA SCALING SOFTWARE          : HKL-3000                           
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 26789                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.600                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 50.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 97.2                               
REMARK 200  DATA REDUNDANCY                : 3.700                              
REMARK 200  R MERGE                    (I) : NULL                               
REMARK 200  R SYM                      (I) : 0.10200                            
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 11.9000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.60                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.64                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 96.2                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 3.40                               
REMARK 200  R MERGE FOR SHELL          (I) : NULL                               
REMARK 200  R SYM FOR SHELL            (I) : 0.45400                            
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 4.000                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: MOLECULAR REPLACEMENT                          
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: MOLECULAR REPLACEMNT                                  
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 61.00                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.15                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 1.5M NA CITRATE, 0.1M BISTRIS 6.8,       
REMARK 280  VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 298K                     
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1                         
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,Y+1/2,-Z                                             
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   2 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.000000  1.000000  0.000000       44.33650            
REMARK 290   SMTRY3   2  0.000000  0.000000 -1.000000        0.00000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1, 2, 3                                                 
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC                           
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC                    
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 4220 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 11590 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -30.0 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B                                  
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 2                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC                           
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC                    
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 3990 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 11440 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -31.0 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: C, D                                  
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 3                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC                           
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC                    
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 4090 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 11580 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -31.0 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: E, F                                  
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 465                                                                      
REMARK 465 MISSING RESIDUES                                                     
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                
REMARK 465                                                                      
REMARK 465   M RES C SSSEQI                                                     
REMARK 465     SER B    -2                                                      
REMARK 465     ASN B    -1                                                      
REMARK 465     ALA B     0                                                      
REMARK 465     MSE B     1                                                      
REMARK 465     LYS B     2                                                      
REMARK 465     GLU B     3                                                      
REMARK 465     ASN B     4                                                      
REMARK 465     LYS B     5                                                      
REMARK 465     LEU B     6                                                      
REMARK 465     ASP B   100                                                      
REMARK 465     SER A    -2                                                      
REMARK 465     ASN A    -1                                                      
REMARK 465     ALA A     0                                                      
REMARK 465     MSE A     1                                                      
REMARK 465     LYS A     2                                                      
REMARK 465     GLU A     3                                                      
REMARK 465     ASN A     4                                                      
REMARK 465     LYS A     5                                                      
REMARK 465     LEU A     6                                                      
REMARK 465     SER C    -2                                                      
REMARK 465     ASN C    -1                                                      
REMARK 465     ALA C     0                                                      
REMARK 465     MSE C     1                                                      
REMARK 465     LYS C     2                                                      
REMARK 465     GLU C     3                                                      
REMARK 465     ASN C     4                                                      
REMARK 465     LYS C     5                                                      
REMARK 465     LEU C     6                                                      
REMARK 465     SER D    -2                                                      
REMARK 465     ASN D    -1                                                      
REMARK 465     ALA D     0                                                      
REMARK 465     MSE D     1                                                      
REMARK 465     LYS D     2                                                      
REMARK 465     GLU D     3                                                      
REMARK 465     ASN D     4                                                      
REMARK 465     LYS D     5                                                      
REMARK 465     LEU D     6                                                      
REMARK 465     ASP D     7                                                      
REMARK 465     SER E    -2                                                      
REMARK 465     ASN E    -1                                                      
REMARK 465     ALA E     0                                                      
REMARK 465     MSE E     1                                                      
REMARK 465     LYS E     2                                                      
REMARK 465     GLU E     3                                                      
REMARK 465     ASN E     4                                                      
REMARK 465     LYS E     5                                                      
REMARK 465     LEU E     6                                                      
REMARK 465     SER F    -2                                                      
REMARK 465     ASN F    -1                                                      
REMARK 465     ALA F     0                                                      
REMARK 465     MSE F     1                                                      
REMARK 465     LYS F     2                                                      
REMARK 465     GLU F     3                                                      
REMARK 465     ASN F     4                                                      
REMARK 465     LYS F     5                                                      
REMARK 465     LEU F     6                                                      
REMARK 465     ASP F     7                                                      
REMARK 465     ARG F    54                                                      
REMARK 470                                                                      
REMARK 470 MISSING ATOM                                                         
REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER;           
REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;          
REMARK 470 I=INSERTION CODE):                                                   
REMARK 470   M RES CSSEQI  ATOMS                                                
REMARK 470     LYS D  53    CG   CD   CE   NZ                                   
REMARK 480                                                                      
REMARK 480 ZERO OCCUPANCY ATOM                                                  
REMARK 480 THE FOLLOWING RESIDUES HAVE ATOMS MODELED WITH ZERO                  
REMARK 480 OCCUPANCY. THE LOCATION AND PROPERTIES OF THESE ATOMS                
REMARK 480 MAY NOT BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME;              
REMARK 480 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):         
REMARK 480   M RES C SSEQI ATOMS                                                
REMARK 480     GLU B   11   CD                                                  
REMARK 480     GLU B   73   CD                                                  
REMARK 480     GLU A   11   CD                                                  
REMARK 480     GLU C   11   CD                                                  
REMARK 480     LYS C   41   CB   CG   CD   CE   NZ                              
REMARK 480     ASP C   45   CA   C    O    CB   CG   OD1  OD2                   
REMARK 480     GLU C   46   CA   CB   CG   CD   OE1  OE2                        
REMARK 480     GLU C   73   CD                                                  
REMARK 480     GLU D   11   CD                                                  
REMARK 480     GLU D   73   CD                                                  
REMARK 480     GLU E   11   CD                                                  
REMARK 480     GLU F   11   CD                                                  
REMARK 480     GLU F   73   CD                                                  
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT                     
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.                            
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI           DISTANCE          
REMARK 500   OD2  ASP A    55     N    HIS A    58              2.19            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500    GLU C  46       38.20    -98.88                                   
REMARK 500    LEU D  64       48.17    -76.83                                   
REMARK 500    TRP E  39      -70.23    -48.86                                   
REMARK 500    LEU F  64       64.18    -69.36                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GOL B 201                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GOL A 201                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GOL A 202                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GOL C 201                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GOL E 201                 
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: MCSG-APC106682   RELATED DB: TARGETTRACK                 
DBREF  4N05 B    1   100  UNP    Q8A5J2   Q8A5J2_BACTN     1    100             
DBREF  4N05 A    1   100  UNP    Q8A5J2   Q8A5J2_BACTN     1    100             
DBREF  4N05 C    1   100  UNP    Q8A5J2   Q8A5J2_BACTN     1    100             
DBREF  4N05 D    1   100  UNP    Q8A5J2   Q8A5J2_BACTN     1    100             
DBREF  4N05 E    1   100  UNP    Q8A5J2   Q8A5J2_BACTN     1    100             
DBREF  4N05 F    1   100  UNP    Q8A5J2   Q8A5J2_BACTN     1    100             
SEQADV 4N05 SER B   -2  UNP  Q8A5J2              EXPRESSION TAG                 
SEQADV 4N05 ASN B   -1  UNP  Q8A5J2              EXPRESSION TAG                 
SEQADV 4N05 ALA B    0  UNP  Q8A5J2              EXPRESSION TAG                 
SEQADV 4N05 ALA B   43  UNP  Q8A5J2    ARG    43 ENGINEERED MUTATION            
SEQADV 4N05 SER A   -2  UNP  Q8A5J2              EXPRESSION TAG                 
SEQADV 4N05 ASN A   -1  UNP  Q8A5J2              EXPRESSION TAG                 
SEQADV 4N05 ALA A    0  UNP  Q8A5J2              EXPRESSION TAG                 
SEQADV 4N05 ALA A   43  UNP  Q8A5J2    ARG    43 ENGINEERED MUTATION            
SEQADV 4N05 SER C   -2  UNP  Q8A5J2              EXPRESSION TAG                 
SEQADV 4N05 ASN C   -1  UNP  Q8A5J2              EXPRESSION TAG                 
SEQADV 4N05 ALA C    0  UNP  Q8A5J2              EXPRESSION TAG                 
SEQADV 4N05 ALA C   43  UNP  Q8A5J2    ARG    43 ENGINEERED MUTATION            
SEQADV 4N05 SER D   -2  UNP  Q8A5J2              EXPRESSION TAG                 
SEQADV 4N05 ASN D   -1  UNP  Q8A5J2              EXPRESSION TAG                 
SEQADV 4N05 ALA D    0  UNP  Q8A5J2              EXPRESSION TAG                 
SEQADV 4N05 ALA D   43  UNP  Q8A5J2    ARG    43 ENGINEERED MUTATION            
SEQADV 4N05 SER E   -2  UNP  Q8A5J2              EXPRESSION TAG                 
SEQADV 4N05 ASN E   -1  UNP  Q8A5J2              EXPRESSION TAG                 
SEQADV 4N05 ALA E    0  UNP  Q8A5J2              EXPRESSION TAG                 
SEQADV 4N05 ALA E   43  UNP  Q8A5J2    ARG    43 ENGINEERED MUTATION            
SEQADV 4N05 SER F   -2  UNP  Q8A5J2              EXPRESSION TAG                 
SEQADV 4N05 ASN F   -1  UNP  Q8A5J2              EXPRESSION TAG                 
SEQADV 4N05 ALA F    0  UNP  Q8A5J2              EXPRESSION TAG                 
SEQADV 4N05 ALA F   43  UNP  Q8A5J2    ARG    43 ENGINEERED MUTATION            
SEQRES   1 B  103  SER ASN ALA MSE LYS GLU ASN LYS LEU ASP TYR ILE PRO          
SEQRES   2 B  103  GLU PRO MSE ASP LEU SER LEU VAL ASP LEU PRO GLU SER          
SEQRES   3 B  103  LEU ILE GLN LEU SER GLU ARG ILE ALA GLU ASN VAL HIS          
SEQRES   4 B  103  GLU VAL TRP ALA LYS ALA ALA ILE ASP GLU GLY TRP THR          
SEQRES   5 B  103  TYR GLY GLU LYS ARG ASP ASP ILE HIS LYS LYS HIS PRO          
SEQRES   6 B  103  CYS LEU VAL PRO TYR ASP GLU LEU PRO GLU GLU GLU LYS          
SEQRES   7 B  103  GLU TYR ASP ARG ASN THR ALA MSE ASN THR ILE LYS MSE          
SEQRES   8 B  103  VAL LYS LYS LEU GLY PHE ARG ILE GLU LYS GLU ASP              
SEQRES   1 A  103  SER ASN ALA MSE LYS GLU ASN LYS LEU ASP TYR ILE PRO          
SEQRES   2 A  103  GLU PRO MSE ASP LEU SER LEU VAL ASP LEU PRO GLU SER          
SEQRES   3 A  103  LEU ILE GLN LEU SER GLU ARG ILE ALA GLU ASN VAL HIS          
SEQRES   4 A  103  GLU VAL TRP ALA LYS ALA ALA ILE ASP GLU GLY TRP THR          
SEQRES   5 A  103  TYR GLY GLU LYS ARG ASP ASP ILE HIS LYS LYS HIS PRO          
SEQRES   6 A  103  CYS LEU VAL PRO TYR ASP GLU LEU PRO GLU GLU GLU LYS          
SEQRES   7 A  103  GLU TYR ASP ARG ASN THR ALA MSE ASN THR ILE LYS MSE          
SEQRES   8 A  103  VAL LYS LYS LEU GLY PHE ARG ILE GLU LYS GLU ASP              
SEQRES   1 C  103  SER ASN ALA MSE LYS GLU ASN LYS LEU ASP TYR ILE PRO          
SEQRES   2 C  103  GLU PRO MSE ASP LEU SER LEU VAL ASP LEU PRO GLU SER          
SEQRES   3 C  103  LEU ILE GLN LEU SER GLU ARG ILE ALA GLU ASN VAL HIS          
SEQRES   4 C  103  GLU VAL TRP ALA LYS ALA ALA ILE ASP GLU GLY TRP THR          
SEQRES   5 C  103  TYR GLY GLU LYS ARG ASP ASP ILE HIS LYS LYS HIS PRO          
SEQRES   6 C  103  CYS LEU VAL PRO TYR ASP GLU LEU PRO GLU GLU GLU LYS          
SEQRES   7 C  103  GLU TYR ASP ARG ASN THR ALA MSE ASN THR ILE LYS MSE          
SEQRES   8 C  103  VAL LYS LYS LEU GLY PHE ARG ILE GLU LYS GLU ASP              
SEQRES   1 D  103  SER ASN ALA MSE LYS GLU ASN LYS LEU ASP TYR ILE PRO          
SEQRES   2 D  103  GLU PRO MSE ASP LEU SER LEU VAL ASP LEU PRO GLU SER          
SEQRES   3 D  103  LEU ILE GLN LEU SER GLU ARG ILE ALA GLU ASN VAL HIS          
SEQRES   4 D  103  GLU VAL TRP ALA LYS ALA ALA ILE ASP GLU GLY TRP THR          
SEQRES   5 D  103  TYR GLY GLU LYS ARG ASP ASP ILE HIS LYS LYS HIS PRO          
SEQRES   6 D  103  CYS LEU VAL PRO TYR ASP GLU LEU PRO GLU GLU GLU LYS          
SEQRES   7 D  103  GLU TYR ASP ARG ASN THR ALA MSE ASN THR ILE LYS MSE          
SEQRES   8 D  103  VAL LYS LYS LEU GLY PHE ARG ILE GLU LYS GLU ASP              
SEQRES   1 E  103  SER ASN ALA MSE LYS GLU ASN LYS LEU ASP TYR ILE PRO          
SEQRES   2 E  103  GLU PRO MSE ASP LEU SER LEU VAL ASP LEU PRO GLU SER          
SEQRES   3 E  103  LEU ILE GLN LEU SER GLU ARG ILE ALA GLU ASN VAL HIS          
SEQRES   4 E  103  GLU VAL TRP ALA LYS ALA ALA ILE ASP GLU GLY TRP THR          
SEQRES   5 E  103  TYR GLY GLU LYS ARG ASP ASP ILE HIS LYS LYS HIS PRO          
SEQRES   6 E  103  CYS LEU VAL PRO TYR ASP GLU LEU PRO GLU GLU GLU LYS          
SEQRES   7 E  103  GLU TYR ASP ARG ASN THR ALA MSE ASN THR ILE LYS MSE          
SEQRES   8 E  103  VAL LYS LYS LEU GLY PHE ARG ILE GLU LYS GLU ASP              
SEQRES   1 F  103  SER ASN ALA MSE LYS GLU ASN LYS LEU ASP TYR ILE PRO          
SEQRES   2 F  103  GLU PRO MSE ASP LEU SER LEU VAL ASP LEU PRO GLU SER          
SEQRES   3 F  103  LEU ILE GLN LEU SER GLU ARG ILE ALA GLU ASN VAL HIS          
SEQRES   4 F  103  GLU VAL TRP ALA LYS ALA ALA ILE ASP GLU GLY TRP THR          
SEQRES   5 F  103  TYR GLY GLU LYS ARG ASP ASP ILE HIS LYS LYS HIS PRO          
SEQRES   6 F  103  CYS LEU VAL PRO TYR ASP GLU LEU PRO GLU GLU GLU LYS          
SEQRES   7 F  103  GLU TYR ASP ARG ASN THR ALA MSE ASN THR ILE LYS MSE          
SEQRES   8 F  103  VAL LYS LYS LEU GLY PHE ARG ILE GLU LYS GLU ASP              
MODRES 4N05 MSE B   13  MET  SELENOMETHIONINE                                   
MODRES 4N05 MSE B   83  MET  SELENOMETHIONINE                                   
MODRES 4N05 MSE B   88  MET  SELENOMETHIONINE                                   
MODRES 4N05 MSE A   13  MET  SELENOMETHIONINE                                   
MODRES 4N05 MSE A   83  MET  SELENOMETHIONINE                                   
MODRES 4N05 MSE A   88  MET  SELENOMETHIONINE                                   
MODRES 4N05 MSE C   13  MET  SELENOMETHIONINE                                   
MODRES 4N05 MSE C   83  MET  SELENOMETHIONINE                                   
MODRES 4N05 MSE C   88  MET  SELENOMETHIONINE                                   
MODRES 4N05 MSE D   13  MET  SELENOMETHIONINE                                   
MODRES 4N05 MSE D   83  MET  SELENOMETHIONINE                                   
MODRES 4N05 MSE D   88  MET  SELENOMETHIONINE                                   
MODRES 4N05 MSE E   13  MET  SELENOMETHIONINE                                   
MODRES 4N05 MSE E   83  MET  SELENOMETHIONINE                                   
MODRES 4N05 MSE E   88  MET  SELENOMETHIONINE                                   
MODRES 4N05 MSE F   13  MET  SELENOMETHIONINE                                   
MODRES 4N05 MSE F   83  MET  SELENOMETHIONINE                                   
MODRES 4N05 MSE F   88  MET  SELENOMETHIONINE                                   
HET    MSE  B  13       8                                                       
HET    MSE  B  83       8                                                       
HET    MSE  B  88       8                                                       
HET    MSE  A  13       8                                                       
HET    MSE  A  83       8                                                       
HET    MSE  A  88       8                                                       
HET    MSE  C  13       8                                                       
HET    MSE  C  83       8                                                       
HET    MSE  C  88       8                                                       
HET    MSE  D  13       8                                                       
HET    MSE  D  83       8                                                       
HET    MSE  D  88       8                                                       
HET    MSE  E  13       8                                                       
HET    MSE  E  83       8                                                       
HET    MSE  E  88       8                                                       
HET    MSE  F  13       8                                                       
HET    MSE  F  83       8                                                       
HET    MSE  F  88       8                                                       
HET    GOL  B 201       6                                                       
HET    GOL  A 201       6                                                       
HET    GOL  A 202       6                                                       
HET    GOL  C 201       6                                                       
HET    GOL  E 201       6                                                       
HETNAM     MSE SELENOMETHIONINE                                                 
HETNAM     GOL GLYCEROL                                                         
HETSYN     GOL GLYCERIN; PROPANE-1,2,3-TRIOL                                    
FORMUL   1  MSE    18(C5 H11 N O2 SE)                                           
FORMUL   7  GOL    5(C3 H8 O3)                                                  
FORMUL  12  HOH   *95(H2 O)                                                     
HELIX    1   1 PRO B   21  GLN B   26  1                                   6    
HELIX    2   2 LEU B   27  GLU B   46  1                                  20    
HELIX    3   3 PRO B   66  LEU B   70  5                                   5    
HELIX    4   4 PRO B   71  LEU B   92  1                                  22    
HELIX    5   5 PRO A   21  GLN A   26  1                                   6    
HELIX    6   6 LEU A   27  GLU A   46  1                                  20    
HELIX    7   7 PRO A   66  LEU A   70  5                                   5    
HELIX    8   8 PRO A   71  LEU A   92  1                                  22    
HELIX    9   9 PRO C   21  GLN C   26  1                                   6    
HELIX   10  10 LEU C   27  GLU C   46  1                                  20    
HELIX   11  11 PRO C   66  LEU C   70  5                                   5    
HELIX   12  12 PRO C   71  LEU C   92  1                                  22    
HELIX   13  13 PRO D   21  LEU D   27  1                                   7    
HELIX   14  14 LEU D   27  ASP D   45  1                                  19    
HELIX   15  15 PRO D   66  LEU D   70  5                                   5    
HELIX   16  16 PRO D   71  LEU D   92  1                                  22    
HELIX   17  17 PRO E   21  LEU E   27  1                                   7    
HELIX   18  18 LEU E   27  ILE E   44  1                                  18    
HELIX   19  19 ASP E   45  GLY E   47  5                                   3    
HELIX   20  20 PRO E   66  LEU E   70  5                                   5    
HELIX   21  21 PRO E   71  LEU E   92  1                                  22    
HELIX   22  22 PRO F   21  LEU F   27  1                                   7    
HELIX   23  23 LEU F   27  GLY F   47  1                                  21    
HELIX   24  24 PRO F   66  LEU F   70  5                                   5    
HELIX   25  25 PRO F   71  LEU F   92  1                                  22    
SHEET    1   A 2 THR B  49  TYR B  50  0                                        
SHEET    2   A 2 LYS B  60  HIS B  61  1  O  HIS B  61   N  THR B  49           
SHEET    1   B 2 PHE B  94  LYS B  98  0                                        
SHEET    2   B 2 PHE A  94  LYS A  98 -1  O  GLU A  97   N  ARG B  95           
SHEET    1   C 2 THR A  49  TYR A  50  0                                        
SHEET    2   C 2 LYS A  60  HIS A  61  1  O  HIS A  61   N  THR A  49           
SHEET    1   D 2 THR C  49  TYR C  50  0                                        
SHEET    2   D 2 LYS C  60  HIS C  61  1  O  HIS C  61   N  THR C  49           
SHEET    1   E 2 PHE C  94  LYS C  98  0                                        
SHEET    2   E 2 PHE D  94  LYS D  98 -1  O  ARG D  95   N  GLU C  97           
SHEET    1   F 2 THR D  49  TYR D  50  0                                        
SHEET    2   F 2 LYS D  60  HIS D  61  1  O  HIS D  61   N  THR D  49           
SHEET    1   G 2 THR E  49  TYR E  50  0                                        
SHEET    2   G 2 LYS E  60  HIS E  61  1  O  HIS E  61   N  THR E  49           
SHEET    1   H 2 PHE E  94  LYS E  98  0                                        
SHEET    2   H 2 PHE F  94  LYS F  98 -1  O  ARG F  95   N  GLU E  97           
SHEET    1   I 2 THR F  49  TYR F  50  0                                        
SHEET    2   I 2 LYS F  60  HIS F  61  1  O  HIS F  61   N  THR F  49           
LINK         C   PRO B  12                 N   MSE B  13     1555   1555  1.32  
LINK         C   MSE B  13                 N   ASP B  14     1555   1555  1.33  
LINK         C   ALA B  82                 N   MSE B  83     1555   1555  1.33  
LINK         C   MSE B  83                 N   ASN B  84     1555   1555  1.34  
LINK         C   LYS B  87                 N   MSE B  88     1555   1555  1.32  
LINK         C   MSE B  88                 N   VAL B  89     1555   1555  1.33  
LINK         C   PRO A  12                 N   MSE A  13     1555   1555  1.32  
LINK         C   MSE A  13                 N   ASP A  14     1555   1555  1.33  
LINK         C   ALA A  82                 N   MSE A  83     1555   1555  1.33  
LINK         C   MSE A  83                 N   ASN A  84     1555   1555  1.33  
LINK         C   LYS A  87                 N   MSE A  88     1555   1555  1.33  
LINK         C   MSE A  88                 N   VAL A  89     1555   1555  1.33  
LINK         C   PRO C  12                 N   MSE C  13     1555   1555  1.32  
LINK         C   MSE C  13                 N   ASP C  14     1555   1555  1.33  
LINK         C   ALA C  82                 N   MSE C  83     1555   1555  1.33  
LINK         C   MSE C  83                 N   ASN C  84     1555   1555  1.33  
LINK         C   LYS C  87                 N   MSE C  88     1555   1555  1.33  
LINK         C   MSE C  88                 N   VAL C  89     1555   1555  1.33  
LINK         C   PRO D  12                 N   MSE D  13     1555   1555  1.33  
LINK         C   MSE D  13                 N   ASP D  14     1555   1555  1.33  
LINK         C   ALA D  82                 N   MSE D  83     1555   1555  1.33  
LINK         C   MSE D  83                 N   ASN D  84     1555   1555  1.33  
LINK         C   LYS D  87                 N   MSE D  88     1555   1555  1.33  
LINK         C   MSE D  88                 N   VAL D  89     1555   1555  1.32  
LINK         C   PRO E  12                 N   MSE E  13     1555   1555  1.32  
LINK         C   MSE E  13                 N   ASP E  14     1555   1555  1.33  
LINK         C   ALA E  82                 N   MSE E  83     1555   1555  1.32  
LINK         C   MSE E  83                 N   ASN E  84     1555   1555  1.33  
LINK         C   LYS E  87                 N   MSE E  88     1555   1555  1.33  
LINK         C   MSE E  88                 N   VAL E  89     1555   1555  1.33  
LINK         C   PRO F  12                 N   MSE F  13     1555   1555  1.33  
LINK         C   MSE F  13                 N   ASP F  14     1555   1555  1.32  
LINK         C   ALA F  82                 N   MSE F  83     1555   1555  1.33  
LINK         C   MSE F  83                 N   ASN F  84     1555   1555  1.32  
LINK         C   LYS F  87                 N   MSE F  88     1555   1555  1.33  
LINK         C   MSE F  88                 N   VAL F  89     1555   1555  1.32  
SITE     1 AC1  4 PRO B  21  GLU B  22  SER B  23  HOH B 313                    
SITE     1 AC2  4 SER A  16  VAL A  18  GLU E  22  GOL E 201                    
SITE     1 AC3  4 PRO A  21  GLU A  22  SER A  23  HOH A 309                    
SITE     1 AC4  2 GLU C  22  SER C  23                                          
SITE     1 AC5  4 GOL A 201  PRO E  21  GLU E  22  SER E  23                    
CRYST1   74.362   88.673   74.370  90.00 111.00  90.00 P 1 21 1     12          
ORIGX1      1.000000  0.000000  0.000000        0.00000                         
ORIGX2      0.000000  1.000000  0.000000        0.00000                         
ORIGX3      0.000000  0.000000  1.000000        0.00000                         
SCALE1      0.013448  0.000000  0.005162        0.00000                         
SCALE2      0.000000  0.011277  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.014403        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
DBGET integrated database retrieval system