GenomeNet

Database: PDB
Entry: 3R6B
LinkDB: 3R6B
Original site: 3R6B 
HEADER    CELL ADHESION                           21-MAR-11   3R6B              
TITLE     CRYSTAL STRUCTURE OF THROMBOSPONDIN-1 TSR DOMAINS 2 AND 3             
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: THROMBOSPONDIN-1;                                          
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: UNP RESIDUES 434-547;                                      
COMPND   5 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 GENE: THBS1, TSP, TSP1;                                              
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PGST PARALLEL 1                           
KEYWDS    CELL ADHESION, DISULFIDE BOND, EGF-LIKE DOMAIN, TSP-1 TYPE 1 REPEAT   
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    R.C.PAGE,P.A.KLENOTIC,S.MISRA,R.L.SILVERSTEIN                         
REVDAT   3   16-NOV-11 3R6B    1       JRNL                                     
REVDAT   2   17-AUG-11 3R6B    1       JRNL                                     
REVDAT   1   10-AUG-11 3R6B    0                                                
JRNL        AUTH   P.A.KLENOTIC,R.C.PAGE,S.MISRA,R.L.SILVERSTEIN                
JRNL        TITL   EXPRESSION, PURIFICATION AND STRUCTURAL CHARACTERIZATION OF  
JRNL        TITL 2 FUNCTIONALLY REPLETE THROMBOSPONDIN-1 TYPE 1 REPEATS IN A    
JRNL        TITL 3 BACTERIAL EXPRESSION SYSTEM.                                 
JRNL        REF    PROTEIN EXPR.PURIF.           V.  80   253 2011              
JRNL        REFN                   ISSN 1046-5928                               
JRNL        PMID   21821127                                                     
JRNL        DOI    10.1016/J.PEP.2011.07.010                                    
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.40 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX (PHENIX.REFINE: 1.7_650)                      
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 : MLHL                                          
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.40                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 30.35                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 0.000                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 93.3                           
REMARK   3   NUMBER OF REFLECTIONS             : 6519                           
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.239                           
REMARK   3   R VALUE            (WORKING SET) : 0.235                           
REMARK   3   FREE R VALUE                     : 0.273                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 10.020                          
REMARK   3   FREE R VALUE TEST SET COUNT      : 653                             
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 30.3559 -  4.1016    0.97     1273   142  0.2024 0.2286        
REMARK   3     2  4.1016 -  3.2568    0.92     1151   127  0.2270 0.2507        
REMARK   3     3  3.2568 -  2.8454    0.94     1164   129  0.2466 0.3082        
REMARK   3     4  2.8454 -  2.5854    0.95     1169   130  0.2911 0.3810        
REMARK   3     5  2.5854 -  2.4002    0.90     1109   125  0.3241 0.3781        
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED        : FLAT BULK SOLVENT MODEL                       
REMARK   3   SOLVENT RADIUS     : 0.90                                          
REMARK   3   SHRINKAGE RADIUS   : 0.61                                          
REMARK   3   K_SOL              : 0.35                                          
REMARK   3   B_SOL              : 58.09                                         
REMARK   3                                                                      
REMARK   3  ERROR ESTIMATES.                                                    
REMARK   3   COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED)     : 0.390            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : NULL             
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 39.60                          
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : NULL                           
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : -5.46040                                             
REMARK   3    B22 (A**2) : -3.25010                                             
REMARK   3    B33 (A**2) : 8.71050                                              
REMARK   3    B12 (A**2) : -0.00000                                             
REMARK   3    B13 (A**2) : 0.00000                                              
REMARK   3    B23 (A**2) : 0.00000                                              
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            916                                  
REMARK   3   ANGLE     :  1.286           1209                                  
REMARK   3   CHIRALITY :  0.088            119                                  
REMARK   3   PLANARITY :  0.006            161                                  
REMARK   3   DIHEDRAL  : 13.171            330                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 13                                         
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: (chain A and resid 415:423)                            
REMARK   3    ORIGIN FOR THE GROUP (A): -23.0210 -10.5834 -24.6556              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4918 T22:   0.2435                                     
REMARK   3      T33:   0.2912 T12:  -0.1169                                     
REMARK   3      T13:   0.0427 T23:  -0.1235                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.2391 L22:   0.1060                                     
REMARK   3      L33:   0.0022 L12:  -0.1587                                     
REMARK   3      L13:   0.0056 L23:  -0.0056                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2100 S12:  -0.0548 S13:  -0.1907                       
REMARK   3      S21:   0.0042 S22:  -0.1173 S23:   0.0365                       
REMARK   3      S31:   0.2295 S32:  -0.3345 S33:  -0.0960                       
REMARK   3   TLS GROUP : 2                                                      
REMARK   3    SELECTION: (chain A and resid 424:435)                            
REMARK   3    ORIGIN FOR THE GROUP (A): -13.1023   9.4181 -13.5351              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2778 T22:  -0.0530                                     
REMARK   3      T33:   0.3483 T12:  -0.3251                                     
REMARK   3      T13:  -0.1290 T23:   0.1449                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1451 L22:   0.3520                                     
REMARK   3      L33:   0.1055 L12:   0.0967                                     
REMARK   3      L13:   0.0464 L23:  -0.1525                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0761 S12:  -0.1098 S13:  -0.1413                       
REMARK   3      S21:  -0.1700 S22:   0.1375 S23:   0.0435                       
REMARK   3      S31:   0.2257 S32:  -0.0323 S33:   0.2395                       
REMARK   3   TLS GROUP : 3                                                      
REMARK   3    SELECTION: (chain A and resid 436:442)                            
REMARK   3    ORIGIN FOR THE GROUP (A): -16.5351   2.7880 -19.0645              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5060 T22:   0.2463                                     
REMARK   3      T33:   0.2445 T12:  -0.0944                                     
REMARK   3      T13:  -0.0145 T23:  -0.0138                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.1289 L22:   3.2964                                     
REMARK   3      L33:   2.6046 L12:   0.1310                                     
REMARK   3      L13:   0.7177 L23:   2.3361                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2475 S12:   0.0937 S13:   0.0821                       
REMARK   3      S21:   0.0267 S22:  -0.3173 S23:   0.2751                       
REMARK   3      S31:  -0.6098 S32:   0.4376 S33:  -0.1083                       
REMARK   3   TLS GROUP : 4                                                      
REMARK   3    SELECTION: (chain A and resid 443:449)                            
REMARK   3    ORIGIN FOR THE GROUP (A): -19.8946 -13.9251 -23.6273              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3363 T22:   0.2063                                     
REMARK   3      T33:   0.4489 T12:   0.0086                                     
REMARK   3      T13:   0.0432 T23:  -0.1038                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.3511 L22:   0.5731                                     
REMARK   3      L33:   0.7634 L12:  -0.4117                                     
REMARK   3      L13:  -0.5186 L23:   0.5934                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0660 S12:   0.3879 S13:  -0.5880                       
REMARK   3      S21:   0.2833 S22:   0.1087 S23:   0.4057                       
REMARK   3      S31:   0.4637 S32:  -0.0526 S33:   0.1007                       
REMARK   3   TLS GROUP : 5                                                      
REMARK   3    SELECTION: (chain A and resid 450:457)                            
REMARK   3    ORIGIN FOR THE GROUP (A): -19.9091 -15.9873 -32.6103              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.9453 T22:   0.5901                                     
REMARK   3      T33:   0.3781 T12:   0.0116                                     
REMARK   3      T13:   0.1717 T23:  -0.1407                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.1514 L22:   0.7349                                     
REMARK   3      L33:   0.5338 L12:  -0.0417                                     
REMARK   3      L13:   0.2806 L23:  -0.5903                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0107 S12:   0.7232 S13:  -0.3833                       
REMARK   3      S21:  -0.2373 S22:  -0.4028 S23:   0.1545                       
REMARK   3      S31:  -0.3603 S32:   0.1163 S33:   0.1970                       
REMARK   3   TLS GROUP : 6                                                      
REMARK   3    SELECTION: (chain A and resid 458:464)                            
REMARK   3    ORIGIN FOR THE GROUP (A): -16.9267   2.5313 -23.9940              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.7949 T22:   0.4229                                     
REMARK   3      T33:   0.3859 T12:  -0.3084                                     
REMARK   3      T13:  -0.0296 T23:   0.3254                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1528 L22:   0.1543                                     
REMARK   3      L33:   0.1179 L12:  -0.1440                                     
REMARK   3      L13:  -0.1096 L23:   0.1305                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1266 S12:   0.0142 S13:   0.0303                       
REMARK   3      S21:  -0.0479 S22:  -0.0489 S23:  -0.1691                       
REMARK   3      S31:  -0.1151 S32:   0.1328 S33:  -0.2113                       
REMARK   3   TLS GROUP : 7                                                      
REMARK   3    SELECTION: (chain A and resid 465:470)                            
REMARK   3    ORIGIN FOR THE GROUP (A): -13.2139  18.1956 -13.9244              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2439 T22:   0.4534                                     
REMARK   3      T33:   0.7550 T12:  -0.1997                                     
REMARK   3      T13:  -0.1916 T23:   0.1446                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.8565 L22:   1.9873                                     
REMARK   3      L33:   1.7824 L12:   0.2692                                     
REMARK   3      L13:  -0.0216 L23:   0.6440                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1244 S12:  -0.0428 S13:  -0.0680                       
REMARK   3      S21:  -0.2119 S22:   0.2209 S23:   0.1706                       
REMARK   3      S31:   0.2029 S32:  -0.0278 S33:   0.0399                       
REMARK   3   TLS GROUP : 8                                                      
REMARK   3    SELECTION: (chain A and resid 471:484)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  12.4244  33.4341 -10.7244              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2873 T22:   0.2393                                     
REMARK   3      T33:   0.3055 T12:  -0.0201                                     
REMARK   3      T13:  -0.0455 T23:   0.0078                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.7507 L22:   1.9307                                     
REMARK   3      L33:   0.6717 L12:   3.0514                                     
REMARK   3      L13:  -1.0679 L23:  -0.7752                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0975 S12:   0.6041 S13:  -0.2930                       
REMARK   3      S21:   0.1539 S22:   0.0594 S23:  -0.2198                       
REMARK   3      S31:  -0.2641 S32:  -0.0027 S33:  -0.0496                       
REMARK   3   TLS GROUP : 9                                                      
REMARK   3    SELECTION: (chain A and resid 485:491)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  31.9323  49.9219  -5.9953              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3211 T22:   0.4196                                     
REMARK   3      T33:   1.0472 T12:  -0.1695                                     
REMARK   3      T13:  -0.1648 T23:   0.0476                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.3056 L22:   0.2497                                     
REMARK   3      L33:   0.1950 L12:   0.2597                                     
REMARK   3      L13:   0.0771 L23:   0.1336                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1663 S12:  -0.0058 S13:  -0.0139                       
REMARK   3      S21:  -0.0301 S22:  -0.0782 S23:   0.0120                       
REMARK   3      S31:  -0.0945 S32:   0.0323 S33:  -0.2794                       
REMARK   3   TLS GROUP : 10                                                     
REMARK   3    SELECTION: (chain A and resid 492:497)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  25.5603  43.0904  -5.3973              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2864 T22:   0.4395                                     
REMARK   3      T33:   0.3229 T12:  -0.1480                                     
REMARK   3      T13:  -0.1048 T23:   0.0514                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.1600 L22:   1.3619                                     
REMARK   3      L33:   0.3167 L12:   1.0490                                     
REMARK   3      L13:   0.2671 L23:   0.5601                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0411 S12:  -0.0108 S13:  -0.0707                       
REMARK   3      S21:   0.1280 S22:   0.0854 S23:   0.0318                       
REMARK   3      S31:  -0.0506 S32:   0.0525 S33:   0.0049                       
REMARK   3   TLS GROUP : 11                                                     
REMARK   3    SELECTION: (chain A and resid 498:510)                            
REMARK   3    ORIGIN FOR THE GROUP (A):   5.0404  32.2961 -10.0954              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0905 T22:   0.2189                                     
REMARK   3      T33:   0.4029 T12:  -0.0970                                     
REMARK   3      T13:  -0.1090 T23:  -0.0285                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.4838 L22:   0.7091                                     
REMARK   3      L33:   0.0033 L12:   0.8329                                     
REMARK   3      L13:   0.0937 L23:   0.0247                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0515 S12:   0.0073 S13:  -0.2593                       
REMARK   3      S21:   0.0617 S22:  -0.3130 S23:   0.1941                       
REMARK   3      S31:   0.2311 S32:  -0.2701 S33:  -1.2369                       
REMARK   3   TLS GROUP : 12                                                     
REMARK   3    SELECTION: (chain A and resid 511:523)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  17.7165  35.1047  -3.7926              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3986 T22:   0.3790                                     
REMARK   3      T33:   0.3829 T12:  -0.1029                                     
REMARK   3      T13:  -0.1631 T23:   0.1251                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1919 L22:   0.4221                                     
REMARK   3      L33:   0.8628 L12:   0.0512                                     
REMARK   3      L13:  -0.2474 L23:   0.4198                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2893 S12:  -0.3744 S13:  -0.4563                       
REMARK   3      S21:   0.3815 S22:  -0.1297 S23:  -0.2000                       
REMARK   3      S31:   0.3378 S32:   0.1344 S33:  -0.0989                       
REMARK   3   TLS GROUP : 13                                                     
REMARK   3    SELECTION: (chain A and resid 524:529)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  40.0513  47.7230  -4.4711              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3444 T22:   0.8081                                     
REMARK   3      T33:   0.6351 T12:  -0.2607                                     
REMARK   3      T13:  -0.1008 T23:   0.1924                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0891 L22:   0.7102                                     
REMARK   3      L33:   0.2605 L12:  -0.2507                                     
REMARK   3      L13:  -0.0733 L23:   0.1876                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0902 S12:   0.1938 S13:  -0.2881                       
REMARK   3      S21:   0.1165 S22:  -0.1527 S23:   0.2780                       
REMARK   3      S31:  -0.1091 S32:   0.0558 S33:   0.0150                       
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 3R6B COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 22-MAR-11.                  
REMARK 100 THE RCSB ID CODE IS RCSB064543.                                      
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 15-MAR-11                          
REMARK 200  TEMPERATURE           (KELVIN) : 93.0                               
REMARK 200  PH                             : 5.0                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : N                                  
REMARK 200  RADIATION SOURCE               : ROTATING ANODE                     
REMARK 200  BEAMLINE                       : NULL                               
REMARK 200  X-RAY GENERATOR MODEL          : RIGAKU MICROMAX-007 HF             
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.5418                             
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : RIGAKU SATURN 944+                 
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : D*TREK                             
REMARK 200  DATA SCALING SOFTWARE          : D*TREK                             
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 6564                               
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.400                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 30.354                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 0.000                              
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 94.0                               
REMARK 200  DATA REDUNDANCY                : 5.800                              
REMARK 200  R MERGE                    (I) : 0.06500                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 16.6000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.40                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.49                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 87.6                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 3.84                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.22700                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 4.700                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: PHENIX (PHENIX.REFINE: 1.7_650)                       
REMARK 200 STARTING MODEL: PDB ENTRY 1LSL                                       
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 51.64                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.54                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 0.9M SODIUM POTASSIUM PHOSPHATE, PH      
REMARK 280  5.0, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 293.0K              
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 2 2 21                         
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,-Y,Z+1/2                                             
REMARK 290       3555   -X,Y,-Z+1/2                                             
REMARK 290       4555   X,-Y,-Z                                                 
REMARK 290       5555   X+1/2,Y+1/2,Z                                           
REMARK 290       6555   -X+1/2,-Y+1/2,Z+1/2                                     
REMARK 290       7555   -X+1/2,Y+1/2,-Z+1/2                                     
REMARK 290       8555   X+1/2,-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        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       30.35350            
REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000       30.35350            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   5  1.000000  0.000000  0.000000       33.18200            
REMARK 290   SMTRY2   5  0.000000  1.000000  0.000000       42.40850            
REMARK 290   SMTRY3   5  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   6 -1.000000  0.000000  0.000000       33.18200            
REMARK 290   SMTRY2   6  0.000000 -1.000000  0.000000       42.40850            
REMARK 290   SMTRY3   6  0.000000  0.000000  1.000000       30.35350            
REMARK 290   SMTRY1   7 -1.000000  0.000000  0.000000       33.18200            
REMARK 290   SMTRY2   7  0.000000  1.000000  0.000000       42.40850            
REMARK 290   SMTRY3   7  0.000000  0.000000 -1.000000       30.35350            
REMARK 290   SMTRY1   8  1.000000  0.000000  0.000000       33.18200            
REMARK 290   SMTRY2   8  0.000000 -1.000000  0.000000       42.40850            
REMARK 290   SMTRY3   8  0.000000  0.000000 -1.000000        0.00000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
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 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC                  
REMARK 350 SOFTWARE USED: PISA                                                  
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 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     GLY A   425                                                      
REMARK 465     ALA A   426                                                      
REMARK 465     MET A   427                                                      
REMARK 465     ASP A   428                                                      
REMARK 465     PRO A   429                                                      
REMARK 465     GLU A   430                                                      
REMARK 465     PHE A   431                                                      
REMARK 465     GLU A   432                                                      
REMARK 465     LEU A   548                                                      
REMARK 465     GLU A   549                                                      
REMARK 465     PRO A   550                                                      
REMARK 465     TYR A   551                                                      
REMARK 465     THR A   552                                                      
REMARK 465     TYR A   553                                                      
REMARK 465     ARG A   554                                                      
REMARK 465     VAL A   555                                                      
REMARK 465     ARG A   556                                                      
REMARK 465     PHE A   557                                                      
REMARK 465     LEU A   558                                                      
REMARK 465     ALA A   559                                                      
REMARK 465     LYS A   560                                                      
REMARK 465     GLU A   561                                                      
REMARK 465     ASN A   562                                                      
REMARK 465     VAL A   563                                                      
REMARK 465     THR A   564                                                      
REMARK 465     GLN A   565                                                      
REMARK 465     ASP A   566                                                      
REMARK 465     ALA A   567                                                      
REMARK 465     GLU A   568                                                      
REMARK 465     ASP A   569                                                      
REMARK 465     ASN A   570                                                      
REMARK 465     THR A   571                                                      
REMARK 465     VAL A   572                                                      
REMARK 465     SER A   573                                                      
REMARK 465     PHE A   574                                                      
REMARK 465     LEU A   575                                                      
REMARK 465     GLN A   576                                                      
REMARK 465     PRO A   577                                                      
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     LEU A 433    CG   CD1  CD2                                       
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   CB   CYS A   508     SG   CYS A   546              1.74            
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 EDO A 1                   
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO A 2                   
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO A 3                   
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO A 4                   
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO A 5                   
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC6                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO A 6                   
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC7                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO A 7                   
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC8                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO A 8                   
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 1LSL   RELATED DB: PDB                                   
REMARK 900 GLYCOSYLATED TSR DOMAINS 2 AND 3 FROM A DROSOPHILA                   
REMARK 900 EXPRESSION SYSTEM                                                    
DBREF  3R6B A  434   547  UNP    P07996   TSP1_HUMAN     434    547             
SEQADV 3R6B GLY A  425  UNP  P07996              EXPRESSION TAG                 
SEQADV 3R6B ALA A  426  UNP  P07996              EXPRESSION TAG                 
SEQADV 3R6B MET A  427  UNP  P07996              EXPRESSION TAG                 
SEQADV 3R6B ASP A  428  UNP  P07996              EXPRESSION TAG                 
SEQADV 3R6B PRO A  429  UNP  P07996              EXPRESSION TAG                 
SEQADV 3R6B GLU A  430  UNP  P07996              EXPRESSION TAG                 
SEQADV 3R6B PHE A  431  UNP  P07996              EXPRESSION TAG                 
SEQADV 3R6B GLU A  432  UNP  P07996              EXPRESSION TAG                 
SEQADV 3R6B LEU A  433  UNP  P07996              EXPRESSION TAG                 
SEQADV 3R6B LEU A  548  UNP  P07996              EXPRESSION TAG                 
SEQADV 3R6B GLU A  549  UNP  P07996              EXPRESSION TAG                 
SEQADV 3R6B PRO A  550  UNP  P07996              EXPRESSION TAG                 
SEQADV 3R6B TYR A  551  UNP  P07996              EXPRESSION TAG                 
SEQADV 3R6B THR A  552  UNP  P07996              EXPRESSION TAG                 
SEQADV 3R6B TYR A  553  UNP  P07996              EXPRESSION TAG                 
SEQADV 3R6B ARG A  554  UNP  P07996              EXPRESSION TAG                 
SEQADV 3R6B VAL A  555  UNP  P07996              EXPRESSION TAG                 
SEQADV 3R6B ARG A  556  UNP  P07996              EXPRESSION TAG                 
SEQADV 3R6B PHE A  557  UNP  P07996              EXPRESSION TAG                 
SEQADV 3R6B LEU A  558  UNP  P07996              EXPRESSION TAG                 
SEQADV 3R6B ALA A  559  UNP  P07996              EXPRESSION TAG                 
SEQADV 3R6B LYS A  560  UNP  P07996              EXPRESSION TAG                 
SEQADV 3R6B GLU A  561  UNP  P07996              EXPRESSION TAG                 
SEQADV 3R6B ASN A  562  UNP  P07996              EXPRESSION TAG                 
SEQADV 3R6B VAL A  563  UNP  P07996              EXPRESSION TAG                 
SEQADV 3R6B THR A  564  UNP  P07996              EXPRESSION TAG                 
SEQADV 3R6B GLN A  565  UNP  P07996              EXPRESSION TAG                 
SEQADV 3R6B ASP A  566  UNP  P07996              EXPRESSION TAG                 
SEQADV 3R6B ALA A  567  UNP  P07996              EXPRESSION TAG                 
SEQADV 3R6B GLU A  568  UNP  P07996              EXPRESSION TAG                 
SEQADV 3R6B ASP A  569  UNP  P07996              EXPRESSION TAG                 
SEQADV 3R6B ASN A  570  UNP  P07996              EXPRESSION TAG                 
SEQADV 3R6B THR A  571  UNP  P07996              EXPRESSION TAG                 
SEQADV 3R6B VAL A  572  UNP  P07996              EXPRESSION TAG                 
SEQADV 3R6B SER A  573  UNP  P07996              EXPRESSION TAG                 
SEQADV 3R6B PHE A  574  UNP  P07996              EXPRESSION TAG                 
SEQADV 3R6B LEU A  575  UNP  P07996              EXPRESSION TAG                 
SEQADV 3R6B GLN A  576  UNP  P07996              EXPRESSION TAG                 
SEQADV 3R6B PRO A  577  UNP  P07996              EXPRESSION TAG                 
SEQRES   1 A  153  GLY ALA MET ASP PRO GLU PHE GLU LEU GLN ASP GLY GLY          
SEQRES   2 A  153  TRP SER HIS TRP SER PRO TRP SER SER CYS SER VAL THR          
SEQRES   3 A  153  CYS GLY ASP GLY VAL ILE THR ARG ILE ARG LEU CYS ASN          
SEQRES   4 A  153  SER PRO SER PRO GLN MET ASN GLY LYS PRO CYS GLU GLY          
SEQRES   5 A  153  GLU ALA ARG GLU THR LYS ALA CYS LYS LYS ASP ALA CYS          
SEQRES   6 A  153  PRO ILE ASN GLY GLY TRP GLY PRO TRP SER PRO TRP ASP          
SEQRES   7 A  153  ILE CYS SER VAL THR CYS GLY GLY GLY VAL GLN LYS ARG          
SEQRES   8 A  153  SER ARG LEU CYS ASN ASN PRO THR PRO GLN PHE GLY GLY          
SEQRES   9 A  153  LYS ASP CYS VAL GLY ASP VAL THR GLU ASN GLN ILE CYS          
SEQRES  10 A  153  ASN LYS GLN ASP CYS PRO LEU GLU PRO TYR THR TYR ARG          
SEQRES  11 A  153  VAL ARG PHE LEU ALA LYS GLU ASN VAL THR GLN ASP ALA          
SEQRES  12 A  153  GLU ASP ASN THR VAL SER PHE LEU GLN PRO                      
HET    EDO  A   1       4                                                       
HET    EDO  A   2       4                                                       
HET    EDO  A   3       4                                                       
HET    EDO  A   4       4                                                       
HET    EDO  A   5       4                                                       
HET    EDO  A   6       4                                                       
HET    EDO  A   7       4                                                       
HET    EDO  A   8       4                                                       
HETNAM     EDO 1,2-ETHANEDIOL                                                   
HETSYN     EDO ETHYLENE GLYCOL                                                  
FORMUL   2  EDO    8(C2 H6 O2)                                                  
FORMUL  10  HOH   *94(H2 O)                                                     
SHEET    1   A 2 ASP A 453  GLY A 454  0                                        
SHEET    2   A 2 CYS A 484  LYS A 485 -1  O  CYS A 484   N  GLY A 454           
SHEET    1   B 2 THR A 457  ILE A 459  0                                        
SHEET    2   B 2 ARG A 479  THR A 481 -1  O  GLU A 480   N  ARG A 458           
SHEET    1   C 2 GLY A 511  SER A 516  0                                        
SHEET    2   C 2 THR A 536  CYS A 541 -1  O  GLU A 537   N  ARG A 515           
SSBOND   1 CYS A  447    CYS A  484                          1555   1555  2.03  
SSBOND   2 CYS A  451    CYS A  489                          1555   1555  2.03  
SSBOND   3 CYS A  462    CYS A  474                          1555   1555  2.03  
SSBOND   4 CYS A  504    CYS A  541                          1555   1555  2.03  
SSBOND   5 CYS A  508    CYS A  546                          1555   1555  2.03  
SSBOND   6 CYS A  519    CYS A  531                          1555   1555  2.03  
CISPEP   1 SER A  464    PRO A  465          0         0.27                     
CISPEP   2 ASN A  521    PRO A  522          0         4.15                     
SITE     1 AC1  3 EDO A   2  HOH A  34  HOH A  35                               
SITE     1 AC2  6 EDO A   1  SER A 442  TRP A 444  ARG A 458                    
SITE     2 AC2  6 LEU A 518  HOH A 583                                          
SITE     1 AC3  3 CYS A 447  ILE A 456  LYS A 486                               
SITE     1 AC4  4 ASN A 463  ASP A 487  ALA A 488  ASN A 521                    
SITE     1 AC5  2 ARG A 460  GLU A 475                                          
SITE     1 AC6  2 HIS A 440  GLN A 525                                          
SITE     1 AC7  2 MET A 469  ARG A 517                                          
SITE     1 AC8  3 HOH A  39  PRO A 497  TRP A 498                               
CRYST1   66.364   84.817   60.707  90.00  90.00  90.00 C 2 2 21      8          
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      0.015068  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.011790  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.016473        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
DBGET integrated database retrieval system