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Database: PDB
Entry: 5ZT8
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HEADER    BIOSYNTHETIC PROTEIN                    02-MAY-18   5ZT8              
TITLE     SIRB FROM BACILLUS SUBTILIS                                           
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: SIROHYDROCHLORIN FERROCHELATASE;                           
COMPND   3 CHAIN: A, B;                                                         
COMPND   4 EC: 4.99.1.4;                                                        
COMPND   5 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS (STRAIN 168);                 
SOURCE   3 ORGANISM_TAXID: 224308;                                              
SOURCE   4 STRAIN: 168;                                                         
SOURCE   5 GENE: SIRB, YLNE, BSU15620;                                          
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: C41(DE3)                                   
KEYWDS    CHELATASE, BIOSYNTHETIC PROTEIN                                       
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    T.FUJISHIRO                                                           
REVDAT   3   22-MAY-19 5ZT8    1       JRNL                                     
REVDAT   2   06-MAR-19 5ZT8    1       JRNL                                     
REVDAT   1   27-FEB-19 5ZT8    0                                                
JRNL        AUTH   T.FUJISHIRO,Y.SHIMADA,R.NAKAMURA,M.OOI                       
JRNL        TITL   STRUCTURE OF SIROHYDROCHLORIN FERROCHELATASE SIRB: THE LAST  
JRNL        TITL 2 OF THE STRUCTURES OF THE CLASS II CHELATASE FAMILY.          
JRNL        REF    DALTON TRANS                  V.  48  6083 2019              
JRNL        REFN                   ESSN 1477-9234                               
JRNL        PMID   30778451                                                     
JRNL        DOI    10.1039/C8DT04727H                                           
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.00 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX 1.13_2998                                     
REMARK   3   AUTHORS     : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN            
REMARK   3               : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE,           
REMARK   3               : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER,            
REMARK   3               : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY,              
REMARK   3               : REETAL PAI,RANDY READ,JANE RICHARDSON,               
REMARK   3               : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI,           
REMARK   3               : NICHOLAS SAUTER,JACOB SMITH,LAURENT                  
REMARK   3               : STORONI,TOM TERWILLIGER,PETER ZWART                  
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : NULL                                          
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.00                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 38.77                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.360                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 99.7                           
REMARK   3   NUMBER OF REFLECTIONS             : 38693                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.187                           
REMARK   3   R VALUE            (WORKING SET) : 0.185                           
REMARK   3   FREE R VALUE                     : 0.218                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.000                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 1936                            
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 38.7737 -  4.8175    0.99     2708   143  0.1698 0.1844        
REMARK   3     2  4.8175 -  3.8248    1.00     2644   139  0.1476 0.1778        
REMARK   3     3  3.8248 -  3.3417    1.00     2643   139  0.1648 0.1855        
REMARK   3     4  3.3417 -  3.0363    1.00     2638   139  0.1895 0.2405        
REMARK   3     5  3.0363 -  2.8187    1.00     2643   139  0.1993 0.2343        
REMARK   3     6  2.8187 -  2.6526    1.00     2610   138  0.2076 0.2463        
REMARK   3     7  2.6526 -  2.5197    1.00     2617   138  0.2046 0.2158        
REMARK   3     8  2.5197 -  2.4101    1.00     2630   138  0.2003 0.2669        
REMARK   3     9  2.4101 -  2.3173    1.00     2607   137  0.2063 0.2747        
REMARK   3    10  2.3173 -  2.2374    0.99     2604   138  0.2162 0.2529        
REMARK   3    11  2.2374 -  2.1674    1.00     2623   138  0.2137 0.2514        
REMARK   3    12  2.1674 -  2.1055    1.00     2623   138  0.2239 0.2694        
REMARK   3    13  2.1055 -  2.0500    0.99     2539   134  0.2553 0.3059        
REMARK   3    14  2.0500 -  2.0000    1.00     2628   138  0.2654 0.3070        
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED        : NULL                                          
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)     : 0.230            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 22.380           
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 32.76                          
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 38.00                          
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      :   NULL           NULL                                  
REMARK   3   ANGLE     :   NULL           NULL                                  
REMARK   3   CHIRALITY :   NULL           NULL                                  
REMARK   3   PLANARITY :   NULL           NULL                                  
REMARK   3   DIHEDRAL  :   NULL           NULL                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 16                                         
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 1 THROUGH 31 )                    
REMARK   3    ORIGIN FOR THE GROUP (A): -10.2072   3.8232  25.3700              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2717 T22:   0.2496                                     
REMARK   3      T33:   0.1376 T12:  -0.0267                                     
REMARK   3      T13:   0.0424 T23:   0.0040                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.2055 L22:   3.2183                                     
REMARK   3      L33:   1.4612 L12:   0.5238                                     
REMARK   3      L13:   0.4503 L23:  -0.0692                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0149 S12:   0.0997 S13:   0.0843                       
REMARK   3      S21:  -0.0952 S22:   0.1078 S23:   0.0292                       
REMARK   3      S31:  -0.0072 S32:   0.1377 S33:  -0.1043                       
REMARK   3   TLS GROUP : 2                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 32 THROUGH 79 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): -16.7573   1.0949  30.1787              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2271 T22:   0.2320                                     
REMARK   3      T33:   0.2434 T12:   0.0053                                     
REMARK   3      T13:   0.0276 T23:  -0.0136                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.4092 L22:   2.5611                                     
REMARK   3      L33:   4.0470 L12:   0.7568                                     
REMARK   3      L13:   1.2657 L23:  -0.4706                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1002 S12:  -0.1464 S13:  -0.0208                       
REMARK   3      S21:  -0.0191 S22:   0.1481 S23:  -0.0512                       
REMARK   3      S31:  -0.2185 S32:  -0.1296 S33:  -0.2398                       
REMARK   3   TLS GROUP : 3                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 80 THROUGH 106 )                  
REMARK   3    ORIGIN FOR THE GROUP (A): -19.3499  -2.9767  35.8992              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2530 T22:   0.2685                                     
REMARK   3      T33:   0.2546 T12:  -0.0207                                     
REMARK   3      T13:   0.0807 T23:   0.0230                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   6.2579 L22:   3.4998                                     
REMARK   3      L33:   2.6731 L12:  -0.1295                                     
REMARK   3      L13:   0.0825 L23:  -0.3316                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.3977 S12:  -0.2961 S13:   0.1831                       
REMARK   3      S21:   0.1753 S22:   0.1138 S23:   0.3046                       
REMARK   3      S31:  -0.3182 S32:  -0.3785 S33:  -0.4601                       
REMARK   3   TLS GROUP : 4                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 107 THROUGH 120 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  10.7901  -5.0477  28.2131              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2532 T22:   0.3081                                     
REMARK   3      T33:   0.3643 T12:   0.0580                                     
REMARK   3      T13:   0.0574 T23:  -0.0389                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.0810 L22:   7.5116                                     
REMARK   3      L33:   3.8300 L12:   4.7563                                     
REMARK   3      L13:  -0.4645 L23:  -0.7085                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1837 S12:   0.7139 S13:  -0.9180                       
REMARK   3      S21:  -0.2555 S22:   0.0830 S23:  -0.6759                       
REMARK   3      S31:   0.1117 S32:   0.2774 S33:   0.0876                       
REMARK   3   TLS GROUP : 5                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 121 THROUGH 138 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  13.3829  -2.1012  38.4366              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2609 T22:   0.1888                                     
REMARK   3      T33:   0.4243 T12:  -0.0048                                     
REMARK   3      T13:  -0.0501 T23:  -0.0243                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   6.1629 L22:   2.7502                                     
REMARK   3      L33:   4.6630 L12:  -1.4071                                     
REMARK   3      L13:  -2.6295 L23:   1.8873                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1748 S12:   0.1343 S13:  -0.2708                       
REMARK   3      S21:   0.3795 S22:   0.0253 S23:  -0.3160                       
REMARK   3      S31:   0.2463 S32:  -0.0435 S33:   0.1601                       
REMARK   3   TLS GROUP : 6                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 139 THROUGH 180 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  10.3607  -3.3942  43.4057              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3142 T22:   0.2232                                     
REMARK   3      T33:   0.4040 T12:  -0.0578                                     
REMARK   3      T13:  -0.0702 T23:   0.0559                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.5855 L22:   2.7756                                     
REMARK   3      L33:   3.7049 L12:  -0.4267                                     
REMARK   3      L13:  -0.6135 L23:   1.3975                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2073 S12:  -0.1804 S13:  -0.5879                       
REMARK   3      S21:   0.4864 S22:  -0.1859 S23:  -0.0560                       
REMARK   3      S31:   0.4992 S32:  -0.1377 S33:  -0.0376                       
REMARK   3   TLS GROUP : 7                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 181 THROUGH 198 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  15.6754   2.6705  37.5422              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2676 T22:   0.1897                                     
REMARK   3      T33:   0.4271 T12:   0.0100                                     
REMARK   3      T13:  -0.0290 T23:   0.0167                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.9517 L22:   3.9994                                     
REMARK   3      L33:   2.3418 L12:  -0.2126                                     
REMARK   3      L13:  -1.4429 L23:   0.7353                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0121 S12:   0.1957 S13:  -0.4352                       
REMARK   3      S21:   0.3422 S22:  -0.0872 S23:  -0.4442                       
REMARK   3      S31:   0.1050 S32:   0.2090 S33:   0.1088                       
REMARK   3   TLS GROUP : 8                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 199 THROUGH 214 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  15.2869  12.1878  39.6458              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3093 T22:   0.2316                                     
REMARK   3      T33:   0.4243 T12:   0.0044                                     
REMARK   3      T13:   0.0085 T23:  -0.0401                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.7677 L22:   3.0737                                     
REMARK   3      L33:   3.4270 L12:  -0.9929                                     
REMARK   3      L13:   3.0952 L23:  -1.0728                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0442 S12:  -0.3310 S13:   0.7388                       
REMARK   3      S21:  -0.2781 S22:  -0.1382 S23:  -0.4598                       
REMARK   3      S31:  -0.1644 S32:  -0.1173 S33:   0.2185                       
REMARK   3   TLS GROUP : 9                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 215 THROUGH 256 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  -3.0379  -5.4792  31.8602              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2248 T22:   0.1905                                     
REMARK   3      T33:   0.3475 T12:   0.0605                                     
REMARK   3      T13:  -0.0032 T23:  -0.0267                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.4051 L22:   1.7015                                     
REMARK   3      L33:   1.0657 L12:   2.1519                                     
REMARK   3      L13:   0.7530 L23:   0.1845                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0464 S12:   0.0261 S13:  -0.4940                       
REMARK   3      S21:  -0.0798 S22:   0.1172 S23:  -0.3231                       
REMARK   3      S31:   0.1745 S32:  -0.0100 S33:  -0.0599                       
REMARK   3   TLS GROUP : 10                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID -1 THROUGH 58 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  44.5167  15.8279  10.9143              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2639 T22:   0.2596                                     
REMARK   3      T33:   0.2116 T12:  -0.0549                                     
REMARK   3      T13:  -0.0326 T23:  -0.0425                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.5464 L22:   4.9318                                     
REMARK   3      L33:   3.2607 L12:  -0.7636                                     
REMARK   3      L13:   0.4431 L23:  -0.9033                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0661 S12:  -0.0407 S13:   0.3652                       
REMARK   3      S21:   0.0522 S22:   0.1807 S23:  -0.4674                       
REMARK   3      S31:  -0.3081 S32:   0.0601 S33:  -0.0932                       
REMARK   3   TLS GROUP : 11                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 59 THROUGH 106 )                  
REMARK   3    ORIGIN FOR THE GROUP (A):  42.2441  11.9047   0.6750              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3758 T22:   0.3120                                     
REMARK   3      T33:   0.2181 T12:   0.0027                                     
REMARK   3      T13:   0.0469 T23:   0.0047                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.3244 L22:   1.6027                                     
REMARK   3      L33:   1.2587 L12:  -1.2869                                     
REMARK   3      L13:   0.2710 L23:   0.2546                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0926 S12:   0.3954 S13:   0.0797                       
REMARK   3      S21:  -0.3360 S22:  -0.0653 S23:  -0.2052                       
REMARK   3      S31:  -0.1029 S32:   0.0606 S33:  -0.0663                       
REMARK   3   TLS GROUP : 12                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 107 THROUGH 138 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  16.5471   9.9043  15.0365              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2825 T22:   0.2994                                     
REMARK   3      T33:   0.2865 T12:  -0.0395                                     
REMARK   3      T13:  -0.0020 T23:   0.0817                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.4963 L22:   1.7510                                     
REMARK   3      L33:   2.0233 L12:  -0.7115                                     
REMARK   3      L13:  -0.1004 L23:  -0.5172                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1451 S12:  -0.2336 S13:  -0.2026                       
REMARK   3      S21:  -0.1612 S22:   0.3513 S23:   0.2914                       
REMARK   3      S31:   0.2948 S32:  -0.4249 S33:  -0.0806                       
REMARK   3   TLS GROUP : 13                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 139 THROUGH 180 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  13.4666  12.4889   5.8813              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3207 T22:   0.3246                                     
REMARK   3      T33:   0.2684 T12:  -0.0806                                     
REMARK   3      T13:  -0.0622 T23:   0.0556                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.9761 L22:   3.8804                                     
REMARK   3      L33:   3.8996 L12:  -0.5177                                     
REMARK   3      L13:  -1.3187 L23:  -0.9778                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0449 S12:   0.1866 S13:  -0.2453                       
REMARK   3      S21:  -0.3194 S22:   0.0944 S23:   0.5175                       
REMARK   3      S31:   0.3009 S32:  -0.2615 S33:  -0.1579                       
REMARK   3   TLS GROUP : 14                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 181 THROUGH 214 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  12.3341  21.8219  14.8510              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3886 T22:   0.3662                                     
REMARK   3      T33:   0.2809 T12:   0.0200                                     
REMARK   3      T13:   0.0440 T23:   0.0832                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.4835 L22:   2.7227                                     
REMARK   3      L33:   1.6670 L12:  -0.9801                                     
REMARK   3      L13:  -0.9502 L23:  -0.1362                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2599 S12:  -0.1521 S13:   0.0505                       
REMARK   3      S21:   0.0205 S22:   0.1230 S23:   0.2904                       
REMARK   3      S31:  -0.3112 S32:  -0.4067 S33:  -0.2718                       
REMARK   3   TLS GROUP : 15                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 215 THROUGH 227 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  16.1374  16.9169  19.0336              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3393 T22:   0.4679                                     
REMARK   3      T33:   0.3214 T12:   0.0445                                     
REMARK   3      T13:   0.0687 T23:   0.0327                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   6.1524 L22:   2.4629                                     
REMARK   3      L33:   1.2694 L12:  -2.4071                                     
REMARK   3      L13:  -0.0422 L23:   0.0310                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0476 S12:  -0.7428 S13:   0.0751                       
REMARK   3      S21:   0.2610 S22:   0.3034 S23:   0.3864                       
REMARK   3      S31:  -0.0807 S32:  -0.1676 S33:  -0.2112                       
REMARK   3   TLS GROUP : 16                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 228 THROUGH 253 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  38.1143   3.3036   6.6188              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3066 T22:   0.2164                                     
REMARK   3      T33:   0.1880 T12:  -0.0284                                     
REMARK   3      T13:  -0.0166 T23:   0.0120                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.3232 L22:   2.7828                                     
REMARK   3      L33:   1.5537 L12:  -1.9966                                     
REMARK   3      L13:  -0.3619 L23:   1.2734                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0370 S12:   0.1198 S13:  -0.1055                       
REMARK   3      S21:  -0.1841 S22:   0.0354 S23:  -0.0011                       
REMARK   3      S31:   0.3537 S32:  -0.0213 S33:  -0.0701                       
REMARK   3                                                                      
REMARK   3  NCS DETAILS                                                         
REMARK   3   NUMBER OF NCS GROUPS : 1                                           
REMARK   3   NCS GROUP : 1                                                      
REMARK   3    NCS OPERATOR : 1                                                  
REMARK   3     REFERENCE SELECTION: (CHAIN A AND RESID 1 THROUGH 253)           
REMARK   3     SELECTION          : (CHAIN B AND RESID 1 THROUGH 253)           
REMARK   3     ATOM PAIRS NUMBER  : 1534                                        
REMARK   3     RMSD               : NULL                                        
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 5ZT8 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 10-MAY-18.                  
REMARK 100 THE DEPOSITION ID IS D_1300007610.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 06-NOV-16                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 9.5                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : PHOTON FACTORY                     
REMARK 200  BEAMLINE                       : BL-5A                              
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 1                                  
REMARK 200  MONOCHROMATOR                  : NUMERICAL LINK TYPE SI(111)        
REMARK 200                                   DOUBLE CRYSTAL MONOCHROMATOR       
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : PIXEL                              
REMARK 200  DETECTOR MANUFACTURER          : DECTRIS PILATUS3 2M                
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : XDS                                
REMARK 200  DATA SCALING SOFTWARE          : XSCALE                             
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 38718                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.000                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 38.766                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 99.3                               
REMARK 200  DATA REDUNDANCY                : 3.448                              
REMARK 200  R MERGE                    (I) : 0.06700                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 14.4800                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.00                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.10                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 98.9                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 3.31                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.66900                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 1.930                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: MOLREP                                                
REMARK 200 STARTING MODEL: 5ZT7                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 51.52                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.54                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 0.1 M CHES, 20% (W/V) PEG 8000, PH       
REMARK 280  9.5, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 293K                
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       26.68500            
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                                                    
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: MONOMERIC                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
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: MONOMERIC                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: 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 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     MET A   -11                                                      
REMARK 465     GLY A   -10                                                      
REMARK 465     SER A    -9                                                      
REMARK 465     SER A    -8                                                      
REMARK 465     HIS A    -7                                                      
REMARK 465     HIS A    -6                                                      
REMARK 465     HIS A    -5                                                      
REMARK 465     HIS A    -4                                                      
REMARK 465     HIS A    -3                                                      
REMARK 465     HIS A    -2                                                      
REMARK 465     SER A    -1                                                      
REMARK 465     SER A     0                                                      
REMARK 465     ALA A   257                                                      
REMARK 465     SER A   258                                                      
REMARK 465     ALA A   259                                                      
REMARK 465     ALA A   260                                                      
REMARK 465     HIS A   261                                                      
REMARK 465     MET B   -11                                                      
REMARK 465     GLY B   -10                                                      
REMARK 465     SER B    -9                                                      
REMARK 465     SER B    -8                                                      
REMARK 465     HIS B    -7                                                      
REMARK 465     HIS B    -6                                                      
REMARK 465     HIS B    -5                                                      
REMARK 465     HIS B    -4                                                      
REMARK 465     HIS B    -3                                                      
REMARK 465     HIS B    -2                                                      
REMARK 465     GLY B   254                                                      
REMARK 465     SER B   255                                                      
REMARK 465     TYR B   256                                                      
REMARK 465     ALA B   257                                                      
REMARK 465     SER B   258                                                      
REMARK 465     ALA B   259                                                      
REMARK 465     ALA B   260                                                      
REMARK 465     HIS B   261                                                      
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    LEU A  44       -6.42     67.73                                   
REMARK 500    ALA A  74     -149.18   -148.02                                   
REMARK 500    HIS A  79      -63.19   -130.64                                   
REMARK 500    ALA A 168      -37.21     75.58                                   
REMARK 500    LYS A 182      -72.52    -48.88                                   
REMARK 500    ASP A 183       84.40     78.82                                   
REMARK 500    ASN A 217       42.89    -90.08                                   
REMARK 500    LEU B  44       -4.45     71.03                                   
REMARK 500    ALA B  74     -146.80   -148.43                                   
REMARK 500    HIS B  79      -59.78   -132.82                                   
REMARK 500    ALA B 168      -36.29     76.01                                   
REMARK 500    ASN B 217       44.23    -91.00                                   
REMARK 500    PHE B 226       53.83    -90.67                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
DBREF  5ZT8 A    1   261  UNP    O34632   SIRB_BACSU       1    261             
DBREF  5ZT8 B    1   261  UNP    O34632   SIRB_BACSU       1    261             
SEQADV 5ZT8 MET A  -11  UNP  O34632              EXPRESSION TAG                 
SEQADV 5ZT8 GLY A  -10  UNP  O34632              EXPRESSION TAG                 
SEQADV 5ZT8 SER A   -9  UNP  O34632              EXPRESSION TAG                 
SEQADV 5ZT8 SER A   -8  UNP  O34632              EXPRESSION TAG                 
SEQADV 5ZT8 HIS A   -7  UNP  O34632              EXPRESSION TAG                 
SEQADV 5ZT8 HIS A   -6  UNP  O34632              EXPRESSION TAG                 
SEQADV 5ZT8 HIS A   -5  UNP  O34632              EXPRESSION TAG                 
SEQADV 5ZT8 HIS A   -4  UNP  O34632              EXPRESSION TAG                 
SEQADV 5ZT8 HIS A   -3  UNP  O34632              EXPRESSION TAG                 
SEQADV 5ZT8 HIS A   -2  UNP  O34632              EXPRESSION TAG                 
SEQADV 5ZT8 SER A   -1  UNP  O34632              EXPRESSION TAG                 
SEQADV 5ZT8 SER A    0  UNP  O34632              EXPRESSION TAG                 
SEQADV 5ZT8 MET B  -11  UNP  O34632              EXPRESSION TAG                 
SEQADV 5ZT8 GLY B  -10  UNP  O34632              EXPRESSION TAG                 
SEQADV 5ZT8 SER B   -9  UNP  O34632              EXPRESSION TAG                 
SEQADV 5ZT8 SER B   -8  UNP  O34632              EXPRESSION TAG                 
SEQADV 5ZT8 HIS B   -7  UNP  O34632              EXPRESSION TAG                 
SEQADV 5ZT8 HIS B   -6  UNP  O34632              EXPRESSION TAG                 
SEQADV 5ZT8 HIS B   -5  UNP  O34632              EXPRESSION TAG                 
SEQADV 5ZT8 HIS B   -4  UNP  O34632              EXPRESSION TAG                 
SEQADV 5ZT8 HIS B   -3  UNP  O34632              EXPRESSION TAG                 
SEQADV 5ZT8 HIS B   -2  UNP  O34632              EXPRESSION TAG                 
SEQADV 5ZT8 SER B   -1  UNP  O34632              EXPRESSION TAG                 
SEQADV 5ZT8 SER B    0  UNP  O34632              EXPRESSION TAG                 
SEQRES   1 A  273  MET GLY SER SER HIS HIS HIS HIS HIS HIS SER SER MET          
SEQRES   2 A  273  LYS GLN ALA ILE LEU TYR VAL GLY HIS GLY SER ARG VAL          
SEQRES   3 A  273  LYS LYS ALA GLN GLN GLU ALA ALA ALA PHE LEU GLU GLY          
SEQRES   4 A  273  CYS LYS ALA HIS ILE SER VAL PRO VAL GLN GLU ILE SER          
SEQRES   5 A  273  PHE LEU GLU LEU GLN GLU PRO THR ILE GLU THR GLY PHE          
SEQRES   6 A  273  GLU ALA CYS VAL LYS GLN GLY ALA THR HIS ILE ALA VAL          
SEQRES   7 A  273  VAL PRO LEU LEU LEU LEU THR ALA ALA HIS ALA LYS HIS          
SEQRES   8 A  273  ASP ILE PRO GLU GLU ILE VAL ARG VAL ALA SER ARG TYR          
SEQRES   9 A  273  PRO SER VAL ARG ILE SER TYR GLY LYS PRO ILE GLY ILE          
SEQRES  10 A  273  ASP GLU GLU VAL VAL LYS ALA VAL TYR HIS ARG MET LYS          
SEQRES  11 A  273  ASP ILE GLY VAL PRO TYR GLU ASN ALA ARG VAL VAL LEU          
SEQRES  12 A  273  ILE GLY ARG GLY SER SER ASP PRO ASP VAL LYS ARG ASP          
SEQRES  13 A  273  VAL THR GLY ILE ALA ASN LEU LEU GLN GLU MET VAL PRO          
SEQRES  14 A  273  VAL LYS GLU VAL ILE PRO CYS PHE LEU THR ALA CYS GLY          
SEQRES  15 A  273  PRO ASN TYR LYS GLU VAL PHE SER GLU LEU GLU LYS ASP          
SEQRES  16 A  273  ASP GLY ILE THR THR PHE ILE VAL PRO TYR LEU LEU PHE          
SEQRES  17 A  273  THR GLY MET LEU MET ASN GLU ILE GLU ARG GLU VAL GLN          
SEQRES  18 A  273  LYS LEU LYS ALA HIS ASN PRO ASN VAL TYR LEU SER SER          
SEQRES  19 A  273  TYR ILE GLY PHE HIS PRO HIS VAL LYS ASN ALA PHE LEU          
SEQRES  20 A  273  ASN ARG VAL ARG GLU THR ALA ALA ASN SER GLU GLY GLN          
SEQRES  21 A  273  PHE ASP PHE ASP GLY GLY SER TYR ALA SER ALA ALA HIS          
SEQRES   1 B  273  MET GLY SER SER HIS HIS HIS HIS HIS HIS SER SER MET          
SEQRES   2 B  273  LYS GLN ALA ILE LEU TYR VAL GLY HIS GLY SER ARG VAL          
SEQRES   3 B  273  LYS LYS ALA GLN GLN GLU ALA ALA ALA PHE LEU GLU GLY          
SEQRES   4 B  273  CYS LYS ALA HIS ILE SER VAL PRO VAL GLN GLU ILE SER          
SEQRES   5 B  273  PHE LEU GLU LEU GLN GLU PRO THR ILE GLU THR GLY PHE          
SEQRES   6 B  273  GLU ALA CYS VAL LYS GLN GLY ALA THR HIS ILE ALA VAL          
SEQRES   7 B  273  VAL PRO LEU LEU LEU LEU THR ALA ALA HIS ALA LYS HIS          
SEQRES   8 B  273  ASP ILE PRO GLU GLU ILE VAL ARG VAL ALA SER ARG TYR          
SEQRES   9 B  273  PRO SER VAL ARG ILE SER TYR GLY LYS PRO ILE GLY ILE          
SEQRES  10 B  273  ASP GLU GLU VAL VAL LYS ALA VAL TYR HIS ARG MET LYS          
SEQRES  11 B  273  ASP ILE GLY VAL PRO TYR GLU ASN ALA ARG VAL VAL LEU          
SEQRES  12 B  273  ILE GLY ARG GLY SER SER ASP PRO ASP VAL LYS ARG ASP          
SEQRES  13 B  273  VAL THR GLY ILE ALA ASN LEU LEU GLN GLU MET VAL PRO          
SEQRES  14 B  273  VAL LYS GLU VAL ILE PRO CYS PHE LEU THR ALA CYS GLY          
SEQRES  15 B  273  PRO ASN TYR LYS GLU VAL PHE SER GLU LEU GLU LYS ASP          
SEQRES  16 B  273  ASP GLY ILE THR THR PHE ILE VAL PRO TYR LEU LEU PHE          
SEQRES  17 B  273  THR GLY MET LEU MET ASN GLU ILE GLU ARG GLU VAL GLN          
SEQRES  18 B  273  LYS LEU LYS ALA HIS ASN PRO ASN VAL TYR LEU SER SER          
SEQRES  19 B  273  TYR ILE GLY PHE HIS PRO HIS VAL LYS ASN ALA PHE LEU          
SEQRES  20 B  273  ASN ARG VAL ARG GLU THR ALA ALA ASN SER GLU GLY GLN          
SEQRES  21 B  273  PHE ASP PHE ASP GLY GLY SER TYR ALA SER ALA ALA HIS          
FORMUL   3  HOH   *304(H2 O)                                                    
HELIX    1 AA1 VAL A   14  LYS A   29  1                                  16    
HELIX    2 AA2 ALA A   30  ILE A   32  5                                   3    
HELIX    3 AA3 THR A   48  GLN A   59  1                                  12    
HELIX    4 AA4 ALA A   74  HIS A   79  1                                   6    
HELIX    5 AA5 HIS A   79  SER A   90  1                                  12    
HELIX    6 AA6 ASP A  106  ASP A  119  1                                  14    
HELIX    7 AA7 ASP A  138  VAL A  156  1                                  19    
HELIX    8 AA8 ASN A  172  LEU A  180  1                                   9    
HELIX    9 AA9 GLY A  198  ASN A  215  1                                  18    
HELIX   10 AB1 HIS A  227  ASN A  244  1                                  18    
HELIX   11 AB2 VAL B   14  LYS B   29  1                                  16    
HELIX   12 AB3 ALA B   30  ILE B   32  5                                   3    
HELIX   13 AB4 THR B   48  GLN B   59  1                                  12    
HELIX   14 AB5 ALA B   74  HIS B   79  1                                   6    
HELIX   15 AB6 HIS B   79  SER B   90  1                                  12    
HELIX   16 AB7 ASP B  106  ASP B  119  1                                  14    
HELIX   17 AB8 ASP B  138  VAL B  156  1                                  19    
HELIX   18 AB9 ASN B  172  LEU B  180  1                                   9    
HELIX   19 AC1 GLY B  198  ASN B  215  1                                  18    
HELIX   20 AC2 HIS B  227  ASN B  244  1                                  18    
SHEET    1 AA1 4 VAL A  36  PHE A  41  0                                        
SHEET    2 AA1 4 GLN A   3  GLY A   9  1  N  TYR A   7   O  GLU A  38           
SHEET    3 AA1 4 HIS A  63  LEU A  69  1  O  LEU A  69   N  VAL A   8           
SHEET    4 AA1 4 ARG A  96  TYR A  99  1  O  SER A  98   N  VAL A  66           
SHEET    1 AA2 4 GLU A 160  PHE A 165  0                                        
SHEET    2 AA2 4 ARG A 128  GLY A 133  1  N  VAL A 129   O  ILE A 162           
SHEET    3 AA2 4 THR A 188  PRO A 192  1  O  PHE A 189   N  ARG A 128           
SHEET    4 AA2 4 VAL A 218  LEU A 220  1  O  TYR A 219   N  ILE A 190           
SHEET    1 AA3 5 VAL B  36  PHE B  41  0                                        
SHEET    2 AA3 5 GLN B   3  GLY B   9  1  N  TYR B   7   O  GLU B  38           
SHEET    3 AA3 5 HIS B  63  LEU B  69  1  O  LEU B  69   N  VAL B   8           
SHEET    4 AA3 5 ARG B  96  TYR B  99  1  O  SER B  98   N  VAL B  66           
SHEET    5 AA3 5 ASP B 250  PHE B 251 -1  O  PHE B 251   N  ILE B  97           
SHEET    1 AA4 4 GLU B 160  PHE B 165  0                                        
SHEET    2 AA4 4 ARG B 128  GLY B 133  1  N  VAL B 129   O  ILE B 162           
SHEET    3 AA4 4 THR B 188  PRO B 192  1  O  PHE B 189   N  ARG B 128           
SHEET    4 AA4 4 VAL B 218  LEU B 220  1  O  TYR B 219   N  ILE B 190           
CISPEP   1 GLU A   46    PRO A   47          0        15.57                     
CISPEP   2 GLY A  170    PRO A  171          0        -3.00                     
CISPEP   3 GLU B   46    PRO B   47          0        -5.61                     
CISPEP   4 GLY B  170    PRO B  171          0        -3.11                     
CRYST1   69.690   53.370   80.430  90.00 105.42  90.00 P 1 21 1      4          
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      0.014349  0.000000  0.003959        0.00000                         
SCALE2      0.000000  0.018737  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.012898        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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