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Database: PDB
Entry: 2O25
LinkDB: 2O25
Original site: 2O25 
HEADER    LIGASE                                  29-NOV-06   2O25              
TITLE     UBIQUITIN-CONJUGATING ENZYME E2-25 KDA COMPLEXED WITH SUMO-1-         
TITLE    2 CONJUGATING ENZYME UBC9                                              
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: UBIQUITIN-CONJUGATING ENZYME E2-25 KDA;                    
COMPND   3 CHAIN: A, B;                                                         
COMPND   4 SYNONYM: UBIQUITIN-PROTEIN LIGASE, UBIQUITIN CARRIER PROTEIN, E225K, 
COMPND   5 HUNTINGTIN-INTERACTING PROTEIN 2, HIP-2;                             
COMPND   6 EC: 6.3.2.19;                                                        
COMPND   7 ENGINEERED: YES;                                                     
COMPND   8 MOL_ID: 2;                                                           
COMPND   9 MOLECULE: SUMO-1-CONJUGATING ENZYME UBC9;                            
COMPND  10 CHAIN: C, D;                                                         
COMPND  11 SYNONYM: SUMO-1-PROTEIN LIGASE, UBIQUITIN-CONJUGATING ENZYME E2 I,   
COMPND  12 UBIQUITIN-PROTEIN LIGASE I, UBIQUITIN CARRIER PROTEIN I, UBIQUITIN   
COMPND  13 CARRIER PROTEIN 9, P18;                                              
COMPND  14 EC: 6.3.2.19;                                                        
COMPND  15 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: HIP2, LIG;                                                     
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);                       
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PET28-LIC;                                
SOURCE  11 MOL_ID: 2;                                                           
SOURCE  12 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE  13 ORGANISM_COMMON: HUMAN;                                              
SOURCE  14 ORGANISM_TAXID: 9606;                                                
SOURCE  15 GENE: UBE2I, UBC9, UBCE9;                                            
SOURCE  16 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);                       
SOURCE  17 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE  18 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
SOURCE  19 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  20 EXPRESSION_SYSTEM_PLASMID: PET28-LIC                                 
KEYWDS    LIGASE; UBL CONJUGATION PATHWAY, STRUCTURAL GENOMICS CONSORTIUM, SGC, 
KEYWDS   2 LIGASE                                                               
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    J.R.WALKER,G.V.AVVAKUMOV,S.XUE,E.M.NEWMAN,F.MACKENZIE,J.WEIGELT,      
AUTHOR   2 M.SUNDSTROM,C.H.ARROWSMITH,A.M.EDWARDS,A.BOCHKAREV,S.DHE-PAGANON,    
AUTHOR   3 STRUCTURAL GENOMICS CONSORTIUM (SGC)                                 
REVDAT   4   13-JUL-11 2O25    1       VERSN                                    
REVDAT   3   24-FEB-09 2O25    1       VERSN                                    
REVDAT   2   27-MAR-07 2O25    1       REMARK                                   
REVDAT   1   16-JAN-07 2O25    0                                                
JRNL        AUTH   J.R.WALKER,G.V.AVVAKUMOV,S.XUE,E.M.NEWMAN,F.MACKENZIE,       
JRNL        AUTH 2 J.WEIGELT,M.SUNDSTROM,C.H.ARROWSMITH,A.M.EDWARDS,            
JRNL        AUTH 3 A.BOCHKAREV,S.DHE-PAGANON                                    
JRNL        TITL   A NOVEL AND UNEXPECTED COMPLEX BETWEEN THE                   
JRNL        TITL 2 SUMO-1-CONJUGATING ENZYME UBC9 AND THE UBIQUITIN-CONJUGATING 
JRNL        TITL 3 ENZYME E2-25 KDA                                             
JRNL        REF    TO BE PUBLISHED                                              
JRNL        REFN                                                                
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.60 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : REFMAC 5.2.0019                                      
REMARK   3   AUTHORS     : MURSHUDOV,VAGIN,DODSON                               
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : MAXIMUM LIKELIHOOD                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.60                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 30.00                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : NULL                           
REMARK   3   COMPLETENESS FOR RANGE        (%) : 92.9                           
REMARK   3   NUMBER OF REFLECTIONS             : 26281                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   CROSS-VALIDATION METHOD          : THROUGHOUT                      
REMARK   3   FREE R VALUE TEST SET SELECTION  : RANDOM                          
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.231                           
REMARK   3   R VALUE            (WORKING SET) : 0.228                           
REMARK   3   FREE R VALUE                     : 0.291                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.100                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 1398                            
REMARK   3                                                                      
REMARK   3  FIT IN THE HIGHEST RESOLUTION BIN.                                  
REMARK   3   TOTAL NUMBER OF BINS USED           : 20                           
REMARK   3   BIN RESOLUTION RANGE HIGH       (A) : 2.60                         
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 2.67                         
REMARK   3   REFLECTION IN BIN     (WORKING SET) : 1352                         
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : 65.40                        
REMARK   3   BIN R VALUE           (WORKING SET) : 0.3040                       
REMARK   3   BIN FREE R VALUE SET COUNT          : 62                           
REMARK   3   BIN FREE R VALUE                    : 0.4190                       
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 5628                                    
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 0                                       
REMARK   3   SOLVENT ATOMS            : 39                                      
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   B VALUE TYPE : LIKELY RESIDUAL                                     
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 34.04                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : -2.31000                                             
REMARK   3    B22 (A**2) : -2.91000                                             
REMARK   3    B33 (A**2) : 4.42000                                              
REMARK   3    B12 (A**2) : 0.79000                                              
REMARK   3    B13 (A**2) : 1.94000                                              
REMARK   3    B23 (A**2) : -1.17000                                             
REMARK   3                                                                      
REMARK   3  ESTIMATED OVERALL COORDINATE ERROR.                                 
REMARK   3   ESU BASED ON R VALUE                            (A): 0.783         
REMARK   3   ESU BASED ON FREE R VALUE                       (A): 0.367         
REMARK   3   ESU BASED ON MAXIMUM LIKELIHOOD                 (A): 0.292         
REMARK   3   ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 28.352        
REMARK   3                                                                      
REMARK   3 CORRELATION COEFFICIENTS.                                            
REMARK   3   CORRELATION COEFFICIENT FO-FC      : 0.940                         
REMARK   3   CORRELATION COEFFICIENT FO-FC FREE : 0.897                         
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES        COUNT    RMS    WEIGHT      
REMARK   3   BOND LENGTHS REFINED ATOMS        (A):  5792 ; 0.016 ; 0.022       
REMARK   3   BOND LENGTHS OTHERS               (A):  NULL ;  NULL ;  NULL       
REMARK   3   BOND ANGLES REFINED ATOMS   (DEGREES):  7876 ; 1.624 ; 1.971       
REMARK   3   BOND ANGLES OTHERS          (DEGREES):  NULL ;  NULL ;  NULL       
REMARK   3   TORSION ANGLES, PERIOD 1    (DEGREES):   709 ; 5.437 ; 5.000       
REMARK   3   TORSION ANGLES, PERIOD 2    (DEGREES):   257 ;39.074 ;24.708       
REMARK   3   TORSION ANGLES, PERIOD 3    (DEGREES):  1002 ;20.218 ;15.000       
REMARK   3   TORSION ANGLES, PERIOD 4    (DEGREES):    32 ;14.615 ;15.000       
REMARK   3   CHIRAL-CENTER RESTRAINTS       (A**3):   861 ; 0.100 ; 0.200       
REMARK   3   GENERAL PLANES REFINED ATOMS      (A):  4410 ; 0.004 ; 0.020       
REMARK   3   GENERAL PLANES OTHERS             (A):  NULL ;  NULL ;  NULL       
REMARK   3   NON-BONDED CONTACTS REFINED ATOMS (A):  2570 ; 0.208 ; 0.200       
REMARK   3   NON-BONDED CONTACTS OTHERS        (A):  NULL ;  NULL ;  NULL       
REMARK   3   NON-BONDED TORSION REFINED ATOMS  (A):  3917 ; 0.302 ; 0.200       
REMARK   3   NON-BONDED TORSION OTHERS         (A):  NULL ;  NULL ;  NULL       
REMARK   3   H-BOND (X...Y) REFINED ATOMS      (A):   185 ; 0.151 ; 0.200       
REMARK   3   H-BOND (X...Y) OTHERS             (A):  NULL ;  NULL ;  NULL       
REMARK   3   POTENTIAL METAL-ION REFINED ATOMS (A):  NULL ;  NULL ;  NULL       
REMARK   3   POTENTIAL METAL-ION OTHERS        (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY VDW REFINED ATOMS        (A):    50 ; 0.227 ; 0.200       
REMARK   3   SYMMETRY VDW OTHERS               (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY H-BOND REFINED ATOMS     (A):     5 ; 0.091 ; 0.200       
REMARK   3   SYMMETRY H-BOND OTHERS            (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY METAL-ION REFINED ATOMS  (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY METAL-ION OTHERS         (A):  NULL ;  NULL ;  NULL       
REMARK   3                                                                      
REMARK   3  ISOTROPIC THERMAL FACTOR RESTRAINTS.     COUNT   RMS    WEIGHT      
REMARK   3   MAIN-CHAIN BOND REFINED ATOMS  (A**2):  3691 ; 0.400 ; 1.500       
REMARK   3   MAIN-CHAIN BOND OTHER ATOMS    (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   MAIN-CHAIN ANGLE REFINED ATOMS (A**2):  5815 ; 0.636 ; 2.000       
REMARK   3   SIDE-CHAIN BOND REFINED ATOMS  (A**2):  2438 ; 1.068 ; 3.000       
REMARK   3   SIDE-CHAIN ANGLE REFINED ATOMS (A**2):  2061 ; 1.693 ; 4.500       
REMARK   3                                                                      
REMARK   3 ANISOTROPIC THERMAL FACTOR RESTRAINTS.    COUNT   RMS   WEIGHT       
REMARK   3   RIGID-BOND RESTRAINTS          (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SPHERICITY; FREE ATOMS         (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SPHERICITY; BONDED ATOMS       (A**2):  NULL ;  NULL ;  NULL       
REMARK   3                                                                      
REMARK   3  NCS RESTRAINTS STATISTICS                                           
REMARK   3   NUMBER OF DIFFERENT NCS GROUPS : NULL                              
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 24                                         
REMARK   3                                                                      
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A     1        A    21                          
REMARK   3    ORIGIN FOR THE GROUP (A): -18.9139   0.3563  12.2941              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1785 T22:   0.3625                                     
REMARK   3      T33:   0.4730 T12:   0.0508                                     
REMARK   3      T13:   0.0146 T23:  -0.0457                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  10.0076 L22:   6.2029                                     
REMARK   3      L33:   4.3253 L12:   0.3489                                     
REMARK   3      L13:   1.3023 L23:  -0.1677                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0091 S12:  -0.4786 S13:   0.5677                       
REMARK   3      S21:   0.1328 S22:   0.0156 S23:   1.2579                       
REMARK   3      S31:  -0.4948 S32:  -1.2335 S33:  -0.0064                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 2                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A    22        A    44                          
REMARK   3    ORIGIN FOR THE GROUP (A): -10.3852   0.4589   6.4906              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0618 T22:   0.1799                                     
REMARK   3      T33:   0.1921 T12:  -0.0100                                     
REMARK   3      T13:  -0.0285 T23:  -0.0341                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   7.6106 L22:  14.5601                                     
REMARK   3      L33:   6.2498 L12:  -3.7365                                     
REMARK   3      L13:   1.9199 L23:   0.7217                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1831 S12:  -0.0955 S13:   0.5845                       
REMARK   3      S21:   0.2689 S22:  -0.2017 S23:   0.3029                       
REMARK   3      S31:  -0.6657 S32:  -0.0878 S33:   0.3848                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 3                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A    45        A    94                          
REMARK   3    ORIGIN FOR THE GROUP (A): -11.2066  -8.3845  -2.9601              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1493 T22:   0.1176                                     
REMARK   3      T33:   0.2105 T12:  -0.0221                                     
REMARK   3      T13:  -0.1012 T23:  -0.0159                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   9.3865 L22:   3.8206                                     
REMARK   3      L33:   3.1464 L12:  -2.6427                                     
REMARK   3      L13:  -0.1380 L23:   0.1285                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1011 S12:   0.0456 S13:  -0.2515                       
REMARK   3      S21:  -0.3201 S22:   0.0277 S23:   0.6271                       
REMARK   3      S31:   0.1224 S32:  -0.2583 S33:   0.0734                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 4                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A    95        A   156                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -8.2594 -16.1943  -4.2951              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2490 T22:   0.2237                                     
REMARK   3      T33:   0.4518 T12:   0.0152                                     
REMARK   3      T13:  -0.0825 T23:  -0.0059                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.2629 L22:   1.1389                                     
REMARK   3      L33:   3.9932 L12:   0.0299                                     
REMARK   3      L13:  -2.5669 L23:   0.8540                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1489 S12:   0.5311 S13:  -0.9744                       
REMARK   3      S21:  -0.3597 S22:  -0.0233 S23:   0.4075                       
REMARK   3      S31:   0.5098 S32:  -0.3086 S33:   0.1722                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 5                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A   157        A   188                          
REMARK   3    ORIGIN FOR THE GROUP (A):   9.5444 -12.5188 -15.9706              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5764 T22:   0.4283                                     
REMARK   3      T33:   0.3361 T12:   0.0062                                     
REMARK   3      T13:   0.0539 T23:  -0.1100                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   9.7375 L22:  11.1613                                     
REMARK   3      L33:   6.1648 L12:  -0.7461                                     
REMARK   3      L13:  -1.3499 L23:  -2.1444                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.7638 S12:   0.1199 S13:  -0.3634                       
REMARK   3      S21:  -0.3085 S22:   0.6307 S23:  -1.0262                       
REMARK   3      S31:  -0.0421 S32:   0.6786 S33:   0.1331                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 6                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A   189        A   199                          
REMARK   3    ORIGIN FOR THE GROUP (A):   6.0767 -14.1931 -26.4423              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.0530 T22:   0.7562                                     
REMARK   3      T33:   0.4247 T12:  -0.2647                                     
REMARK   3      T13:  -0.0083 T23:  -0.1308                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   7.4483 L22:  26.3061                                     
REMARK   3      L33:  25.1974 L12:  -5.4215                                     
REMARK   3      L13:  -7.5435 L23:  -9.0067                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -1.1401 S12:   2.6621 S13:  -1.0077                       
REMARK   3      S21:  -2.4557 S22:   1.2740 S23:   1.0313                       
REMARK   3      S31:   2.6105 S32:  -1.1302 S33:  -0.1338                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 7                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   B     3        B    26                          
REMARK   3    ORIGIN FOR THE GROUP (A): -31.9067 -32.0306  51.2295              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.7659 T22:   1.4326                                     
REMARK   3      T33:   0.8903 T12:  -0.5915                                     
REMARK   3      T13:   0.5777 T23:  -0.1559                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   6.4110 L22:  11.7684                                     
REMARK   3      L33:   4.4981 L12:  -0.5415                                     
REMARK   3      L13:  -4.9580 L23:   3.2084                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1576 S12:  -1.7714 S13:  -0.2390                       
REMARK   3      S21:   2.1097 S22:   0.2337 S23:   0.1560                       
REMARK   3      S31:   0.0949 S32:  -3.2382 S33:  -0.0760                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 8                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   B    27        B    50                          
REMARK   3    ORIGIN FOR THE GROUP (A): -25.7198 -32.5125  42.9950              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.2804 T22:   0.6504                                     
REMARK   3      T33:   0.4423 T12:  -0.1711                                     
REMARK   3      T13:   0.4203 T23:  -0.0439                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   6.0751 L22:  14.8221                                     
REMARK   3      L33:  21.4574 L12:   1.3099                                     
REMARK   3      L13:   2.2754 L23: -16.8180                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   1.1729 S12:  -1.0530 S13:  -0.2568                       
REMARK   3      S21:   0.8499 S22:  -0.4528 S23:   0.6180                       
REMARK   3      S31:   1.1934 S32:  -0.0342 S33:  -0.7201                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 9                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   B    51        B    85                          
REMARK   3    ORIGIN FOR THE GROUP (A): -17.7879 -28.2114  43.1084              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.1995 T22:   0.4519                                     
REMARK   3      T33:   0.2268 T12:  -0.0511                                     
REMARK   3      T13:   0.1303 T23:   0.0460                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.3501 L22:   8.6137                                     
REMARK   3      L33:   9.0602 L12:   1.3614                                     
REMARK   3      L13:  -1.0581 L23:   1.0534                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0153 S12:  -1.3051 S13:  -0.6015                       
REMARK   3      S21:   2.3614 S22:  -0.2278 S23:   0.1180                       
REMARK   3      S31:   1.0399 S32:   0.4047 S33:   0.2431                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 10                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   B    86        B   138                          
REMARK   3    ORIGIN FOR THE GROUP (A): -16.1103 -19.2930  43.1297              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.1870 T22:   0.5346                                     
REMARK   3      T33:   0.3716 T12:  -0.1733                                     
REMARK   3      T13:   0.0027 T23:  -0.1768                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.5691 L22:   2.2834                                     
REMARK   3      L33:  12.1195 L12:  -1.0250                                     
REMARK   3      L13:  -2.2639 L23:   1.8984                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2345 S12:  -1.1570 S13:   0.3707                       
REMARK   3      S21:   2.0978 S22:  -0.4324 S23:   0.1349                       
REMARK   3      S31:  -0.0028 S32:   0.2420 S33:   0.1979                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 11                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   B   139        B   161                          
REMARK   3    ORIGIN FOR THE GROUP (A): -19.5182 -20.5378  24.3753              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1217 T22:   0.0785                                     
REMARK   3      T33:   0.1910 T12:  -0.0139                                     
REMARK   3      T13:   0.0370 T23:  -0.0412                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   7.9586 L22:   5.7919                                     
REMARK   3      L33:   6.1324 L12:   3.0966                                     
REMARK   3      L13:   0.9171 L23:   1.9149                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2541 S12:   0.4267 S13:   0.7810                       
REMARK   3      S21:  -0.1127 S22:   0.2708 S23:   0.6139                       
REMARK   3      S31:  -0.6025 S32:  -0.2733 S33:  -0.0166                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 12                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   B   162        B   199                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -7.4312 -24.7725  18.3986              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:  -0.0382 T22:   0.0836                                     
REMARK   3      T33:   0.2069 T12:  -0.0030                                     
REMARK   3      T13:   0.0457 T23:   0.0496                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   9.1091 L22:  13.0863                                     
REMARK   3      L33:   6.0216 L12:  -6.1026                                     
REMARK   3      L13:  -1.9366 L23:   0.2479                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0928 S12:   0.0801 S13:  -0.1872                       
REMARK   3      S21:   0.1636 S22:   0.0109 S23:  -0.5594                       
REMARK   3      S31:   0.0870 S32:   0.2161 S33:   0.0818                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 13                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   C     2        C    19                          
REMARK   3    ORIGIN FOR THE GROUP (A):   4.5427 -27.9401  10.1841              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0669 T22:   0.0357                                     
REMARK   3      T33:   0.3385 T12:   0.0496                                     
REMARK   3      T13:   0.1303 T23:   0.0676                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  16.0630 L22:   5.0128                                     
REMARK   3      L33:  13.3567 L12:  -0.7039                                     
REMARK   3      L13:   4.7912 L23:   0.7325                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1268 S12:   0.1516 S13:   1.2919                       
REMARK   3      S21:  -0.2055 S22:  -0.0513 S23:   0.0473                       
REMARK   3      S31:  -0.1287 S32:  -0.1964 S33:   0.1782                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 14                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   C    20        C    37                          
REMARK   3    ORIGIN FOR THE GROUP (A):  14.0044 -30.6158   5.7743              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1559 T22:   0.1313                                     
REMARK   3      T33:   0.2846 T12:  -0.0328                                     
REMARK   3      T13:   0.0547 T23:   0.0951                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   6.3102 L22:   4.0045                                     
REMARK   3      L33:  10.6489 L12:   0.8834                                     
REMARK   3      L13:  -1.1985 L23:   1.0702                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0962 S12:   1.3006 S13:   0.7720                       
REMARK   3      S21:  -0.6977 S22:   0.1759 S23:   0.0527                       
REMARK   3      S31:  -1.7650 S32:   0.5161 S33:  -0.0796                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 15                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   C    38        C    63                          
REMARK   3    ORIGIN FOR THE GROUP (A):  17.6024 -39.7212  13.2537              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:  -0.0214 T22:   0.0497                                     
REMARK   3      T33:   0.1618 T12:  -0.0092                                     
REMARK   3      T13:   0.0366 T23:  -0.0376                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   6.8645 L22:   6.9870                                     
REMARK   3      L33:   0.9371 L12:  -1.9832                                     
REMARK   3      L13:  -0.1213 L23:  -2.4138                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0148 S12:  -0.2243 S13:   0.5087                       
REMARK   3      S21:   0.0514 S22:   0.0533 S23:  -0.4534                       
REMARK   3      S31:  -0.4194 S32:   0.0283 S33:  -0.0681                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 16                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   C    64        C    96                          
REMARK   3    ORIGIN FOR THE GROUP (A):   9.4993 -46.5944   9.5660              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:  -0.0459 T22:   0.0516                                     
REMARK   3      T33:   0.1247 T12:  -0.0057                                     
REMARK   3      T13:  -0.0097 T23:   0.0072                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   6.8439 L22:   5.9812                                     
REMARK   3      L33:   1.1883 L12:  -4.6888                                     
REMARK   3      L13:  -0.4748 L23:   0.5285                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1528 S12:   0.2273 S13:  -0.5164                       
REMARK   3      S21:  -0.2643 S22:   0.0881 S23:   0.3294                       
REMARK   3      S31:  -0.0536 S32:  -0.0860 S33:  -0.2408                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 17                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   C    97        C   124                          
REMARK   3    ORIGIN FOR THE GROUP (A):   6.4990 -43.6429  18.0312              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0213 T22:   0.1103                                     
REMARK   3      T33:   0.0309 T12:  -0.0230                                     
REMARK   3      T13:   0.0497 T23:   0.0181                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  11.1516 L22:   6.7333                                     
REMARK   3      L33:   1.2448 L12:  -3.2340                                     
REMARK   3      L13:   0.6825 L23:  -2.4824                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0686 S12:  -0.3779 S13:  -0.5277                       
REMARK   3      S21:   0.4632 S22:   0.0085 S23:   0.4309                       
REMARK   3      S31:   0.2795 S32:  -0.1024 S33:  -0.0771                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 18                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   C   125        C   158                          
REMARK   3    ORIGIN FOR THE GROUP (A):  23.3954 -54.6622  17.6672              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0219 T22:   0.2112                                     
REMARK   3      T33:   0.1873 T12:   0.0565                                     
REMARK   3      T13:  -0.1316 T23:  -0.0153                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  10.5019 L22:   9.3203                                     
REMARK   3      L33:   5.6433 L12:   2.5198                                     
REMARK   3      L13:  -0.6765 L23:  -0.1994                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2533 S12:  -0.5682 S13:  -0.7367                       
REMARK   3      S21:   0.6622 S22:  -0.2200 S23:  -0.8690                       
REMARK   3      S31:   0.1926 S32:   0.1117 S33:  -0.0333                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 19                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   D     2        D    18                          
REMARK   3    ORIGIN FOR THE GROUP (A):  14.8628  -9.8162 -33.0790              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.9902 T22:   0.6807                                     
REMARK   3      T33:   0.4260 T12:  -0.1530                                     
REMARK   3      T13:   0.3154 T23:  -0.0984                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   8.5253 L22:   3.5988                                     
REMARK   3      L33:  11.2021 L12:  -4.6355                                     
REMARK   3      L13:  -0.2362 L23:  -3.3461                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.8210 S12:   0.6989 S13:  -0.1451                       
REMARK   3      S21:  -0.7810 S22:  -0.3707 S23:  -0.1023                       
REMARK   3      S31:   1.0867 S32:   0.3465 S33:   1.1917                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 20                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   D    19        D    39                          
REMARK   3    ORIGIN FOR THE GROUP (A):  15.9998  -8.3000 -42.5902              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.1288 T22:   0.6290                                     
REMARK   3      T33:   0.4871 T12:  -0.0220                                     
REMARK   3      T13:   0.0535 T23:  -0.1444                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  17.3459 L22:   8.6344                                     
REMARK   3      L33:  11.6977 L12:   7.9775                                     
REMARK   3      L13:  -5.4033 L23:   2.5006                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1482 S12:  -0.4664 S13:  -1.3644                       
REMARK   3      S21:  -0.7267 S22:  -0.3528 S23:  -0.6436                       
REMARK   3      S31:   1.3453 S32:   0.0622 S33:   0.2045                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 21                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   D    40        D    57                          
REMARK   3    ORIGIN FOR THE GROUP (A):   4.1570   1.7429 -47.5915              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.4112 T22:   1.1643                                     
REMARK   3      T33:   0.5901 T12:  -0.2296                                     
REMARK   3      T13:  -0.0529 T23:   0.0255                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.9682 L22:   8.6238                                     
REMARK   3      L33:   4.7020 L12:  -2.2937                                     
REMARK   3      L13:   1.7851 L23:  -3.0658                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.8374 S12:   1.4950 S13:   0.2300                       
REMARK   3      S21:  -1.0200 S22:   0.4710 S23:   0.8644                       
REMARK   3      S31:   0.4263 S32:  -1.0500 S33:   0.3664                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 22                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   D    58        D    77                          
REMARK   3    ORIGIN FOR THE GROUP (A):  16.8040   2.9317 -37.3355              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.7562 T22:   0.4837                                     
REMARK   3      T33:   0.3956 T12:  -0.1218                                     
REMARK   3      T13:   0.1325 T23:  -0.0073                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   8.1168 L22:   7.0313                                     
REMARK   3      L33:  15.1389 L12:  -5.7887                                     
REMARK   3      L13:  -4.1286 L23:  -3.2080                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2407 S12:   0.0616 S13:   0.4261                       
REMARK   3      S21:  -0.4221 S22:  -0.4569 S23:  -0.2798                       
REMARK   3      S31:   0.3207 S32:   0.5838 S33:   0.2162                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 23                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   D    78        D   125                          
REMARK   3    ORIGIN FOR THE GROUP (A):   8.1846   8.6220 -37.7472              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.8942 T22:   0.6962                                     
REMARK   3      T33:   0.4399 T12:   0.0170                                     
REMARK   3      T13:  -0.0141 T23:   0.0006                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.3794 L22:  11.2472                                     
REMARK   3      L33:   4.3846 L12:  -0.0713                                     
REMARK   3      L13:  -2.2493 L23:  -1.8030                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1440 S12:   0.5119 S13:   0.4148                       
REMARK   3      S21:  -0.3108 S22:  -0.1812 S23:   0.8529                       
REMARK   3      S31:  -0.4149 S32:  -0.7093 S33:   0.0372                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 24                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   D   126        D   157                          
REMARK   3    ORIGIN FOR THE GROUP (A):   2.8252  16.7122 -50.8278              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.6440 T22:   1.4891                                     
REMARK   3      T33:   0.6011 T12:   0.1373                                     
REMARK   3      T13:  -0.1107 T23:   0.2019                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   8.8503 L22:   1.0482                                     
REMARK   3      L33:   4.6038 L12:   2.9520                                     
REMARK   3      L13:   4.1686 L23:   0.9809                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1161 S12:   0.9912 S13:  -0.1501                       
REMARK   3      S21:   0.6363 S22:  -0.5739 S23:   1.0667                       
REMARK   3      S31:  -0.5890 S32:  -0.1662 S33:   0.6900                       
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED : MASK                                                 
REMARK   3   PARAMETERS FOR MASK CALCULATION                                    
REMARK   3   VDW PROBE RADIUS   : 1.40                                          
REMARK   3   ION PROBE RADIUS   : 0.80                                          
REMARK   3   SHRINKAGE RADIUS   : 0.80                                          
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: ATOM RECORD CONTAINS SUM OF TLS AND       
REMARK   3  RESIDUAL B FACTORS. ANISOU RECORD CONTAINS SUM OF TLS AND           
REMARK   3  RESIDUAL U FACTORS. HYDROGENS HAVE BEEN ADDED IN THE RIDING         
REMARK   3  POSITIONS                                                           
REMARK   4                                                                      
REMARK   4 2O25 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 30-NOV-06.                  
REMARK 100 THE RCSB ID CODE IS RCSB040591.                                      
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 07-MAY-06                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 6.0                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : CHESS                              
REMARK 200  BEAMLINE                       : A1                                 
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.91841                            
REMARK 200  MONOCHROMATOR                  : HORIZONTAL FOCUSING 5.05           
REMARK 200                                   ASYMMETRIC CUT SI(111)             
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : ADSC QUANTUM 210                   
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : HKL-2000                           
REMARK 200  DATA SCALING SOFTWARE          : HKL-2000                           
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 27651                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.600                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 30.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : -3.000                             
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 93.3                               
REMARK 200  DATA REDUNDANCY                : 1.900                              
REMARK 200  R MERGE                    (I) : NULL                               
REMARK 200  R SYM                      (I) : 0.05100                            
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 13.9000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.60                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.64                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 70.8                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 1.70                               
REMARK 200  R MERGE FOR SHELL          (I) : NULL                               
REMARK 200  R SYM FOR SHELL            (I) : 0.29300                            
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 2.170                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: PHASER                                                
REMARK 200 STARTING MODEL: PDB ENTRIES 1YLA AND 1A3S                            
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 59.92                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.07                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: THE PROTEIN COMPLEX (1:1) WAS            
REMARK 280  DISSOLVED AT 26 MG/ML IN 20 MM TRIS-HCL, PH 8.0, 5% GLYCEROL, 2     
REMARK 280  MM DTT. HANGING DROPS (2 MICROL + 2 MICROL), ROOM TEMPERATURE,      
REMARK 280  WELL SOLUTION: 16% PEG MME 5000, 0.1 M BIS-TRIS, PH 6.0, 1 MM       
REMARK 280  DTT, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298.0K              
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1                              
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,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                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1, 2                                                    
REMARK 300 THIS ENTRY CONTAINS THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT             
REMARK 300 WHICH CONSISTS OF 4 CHAIN(S). AUTHORS STATE THAT THE                 
REMARK 300 BIOLOGICAL UNIT OF THIS PROTEIN IS UNKNOWN.                          
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC                           
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, D                                  
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 2                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC                           
REMARK 350 APPLY THE FOLLOWING TO CHAINS: B, C                                  
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    -1                                                      
REMARK 465     SER A     0                                                      
REMARK 465     ASN A   200                                                      
REMARK 465     GLY B    -1                                                      
REMARK 465     SER B     0                                                      
REMARK 465     MET B     1                                                      
REMARK 465     ALA B     2                                                      
REMARK 465     ASN B   200                                                      
REMARK 465     GLY C    -1                                                      
REMARK 465     SER C     0                                                      
REMARK 465     MET C     1                                                      
REMARK 465     GLY D    -1                                                      
REMARK 465     SER D     0                                                      
REMARK 465     MET D     1                                                      
REMARK 465     SER D   158                                                      
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     ARG B  40    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     LYS D  18    CG   CD   CE   NZ                                   
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS                                      
REMARK 500                                                                      
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3)               
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   RES CSSEQI ATM2   DEVIATION                     
REMARK 500    GLU B  34   CD    GLU B  34   OE1     0.225                       
REMARK 500    GLU B  34   CD    GLU B  34   OE2     0.204                       
REMARK 500    GLU B  64   CD    GLU B  64   OE1     0.383                       
REMARK 500    GLU B  64   CD    GLU B  64   OE2     0.160                       
REMARK 500    ARG B 107   NE    ARG B 107   CZ      0.084                       
REMARK 500    ARG B 107   CZ    ARG B 107   NH1     0.164                       
REMARK 500    SER B 158   CB    SER B 158   OG      0.091                       
REMARK 500    GLU D 132   CD    GLU D 132   OE1     0.128                       
REMARK 500    GLU D 132   CD    GLU D 132   OE2     0.088                       
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES                                       
REMARK 500                                                                      
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)              
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   ATM2   ATM3                                     
REMARK 500    GLU B  34   OE1 -  CD  -  OE2 ANGL. DEV. =   9.9 DEGREES          
REMARK 500    ARG B 107   NE  -  CZ  -  NH1 ANGL. DEV. =   3.1 DEGREES          
REMARK 500    ARG B 107   NE  -  CZ  -  NH2 ANGL. DEV. =  -4.6 DEGREES          
REMARK 500    LEU C 119   CA  -  CB  -  CG  ANGL. DEV. =  16.8 DEGREES          
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500    ASN A   3      -60.55    -26.49                                   
REMARK 500    VAL A  32      -69.28   -107.73                                   
REMARK 500    LYS A  97     -108.77   -138.54                                   
REMARK 500    ALA A 119       87.18   -155.23                                   
REMARK 500    GLU A 121       73.69   -119.92                                   
REMARK 500    SER A 158     -147.97    -91.94                                   
REMARK 500    LEU A 198      -71.44    -83.59                                   
REMARK 500    VAL B   6      -36.88   -133.72                                   
REMARK 500    ILE B   9      -59.48    -29.29                                   
REMARK 500    ARG B  11       -6.39    -58.42                                   
REMARK 500    VAL B  32      -67.92    -91.74                                   
REMARK 500    VAL B  87      -63.54   -101.87                                   
REMARK 500    LYS B  97      -73.10   -105.81                                   
REMARK 500    ASP B  98        1.19   -151.60                                   
REMARK 500    ALA B 119       83.20   -159.16                                   
REMARK 500    ALA C  26      101.11   -170.50                                   
REMARK 500    ASP C  33       14.84    -69.54                                   
REMARK 500    PRO C  52        1.14    -69.44                                   
REMARK 500    ILE C  96       -4.01    -52.00                                   
REMARK 500    LYS C 101     -119.89   -117.07                                   
REMARK 500    ALA D  26      116.98   -163.73                                   
REMARK 500    ASP D  33       80.01     67.01                                   
REMARK 500    THR D  35      -42.92   -136.49                                   
REMARK 500    TYR D  68      130.62    -37.42                                   
REMARK 500    PRO D  88       -5.63    -57.18                                   
REMARK 500    LYS D 101      -84.48   -122.83                                   
REMARK 500    THR D 135      -39.10    -39.18                                   
REMARK 500    GLN D 139      -44.35   -146.64                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 1A3S   RELATED DB: PDB                                   
REMARK 900 HUMAN UBC9                                                           
REMARK 900 RELATED ID: 1YLA   RELATED DB: PDB                                   
REMARK 900 UBIQUITIN-CONJUGATING ENZYME E2-25 KDA                               
DBREF  2O25 A    1   200  UNP    P61086   UBC1_HUMAN       0    199             
DBREF  2O25 B    1   200  UNP    P61086   UBC1_HUMAN       0    199             
DBREF  2O25 C    1   158  UNP    P63279   UBC9_HUMAN       1    158             
DBREF  2O25 D    1   158  UNP    P63279   UBC9_HUMAN       1    158             
SEQADV 2O25 GLY A   -1  UNP  P61086              CLONING ARTIFACT               
SEQADV 2O25 SER A    0  UNP  P61086              CLONING ARTIFACT               
SEQADV 2O25 GLY B   -1  UNP  P61086              CLONING ARTIFACT               
SEQADV 2O25 SER B    0  UNP  P61086              CLONING ARTIFACT               
SEQADV 2O25 GLY C   -1  UNP  P63279              CLONING ARTIFACT               
SEQADV 2O25 SER C    0  UNP  P63279              CLONING ARTIFACT               
SEQADV 2O25 GLY D   -1  UNP  P63279              CLONING ARTIFACT               
SEQADV 2O25 SER D    0  UNP  P63279              CLONING ARTIFACT               
SEQRES   1 A  202  GLY SER MET ALA ASN ILE ALA VAL GLN ARG ILE LYS ARG          
SEQRES   2 A  202  GLU PHE LYS GLU VAL LEU LYS SER GLU GLU THR SER LYS          
SEQRES   3 A  202  ASN GLN ILE LYS VAL ASP LEU VAL ASP GLU ASN PHE THR          
SEQRES   4 A  202  GLU LEU ARG GLY GLU ILE ALA GLY PRO PRO ASP THR PRO          
SEQRES   5 A  202  TYR GLU GLY GLY ARG TYR GLN LEU GLU ILE LYS ILE PRO          
SEQRES   6 A  202  GLU THR TYR PRO PHE ASN PRO PRO LYS VAL ARG PHE ILE          
SEQRES   7 A  202  THR LYS ILE TRP HIS PRO ASN ILE SER SER VAL THR GLY          
SEQRES   8 A  202  ALA ILE CYS LEU ASP ILE LEU LYS ASP GLN TRP ALA ALA          
SEQRES   9 A  202  ALA MET THR LEU ARG THR VAL LEU LEU SER LEU GLN ALA          
SEQRES  10 A  202  LEU LEU ALA ALA ALA GLU PRO ASP ASP PRO GLN ASP ALA          
SEQRES  11 A  202  VAL VAL ALA ASN GLN TYR LYS GLN ASN PRO GLU MET PHE          
SEQRES  12 A  202  LYS GLN THR ALA ARG LEU TRP ALA HIS VAL TYR ALA GLY          
SEQRES  13 A  202  ALA PRO VAL SER SER PRO GLU TYR THR LYS LYS ILE GLU          
SEQRES  14 A  202  ASN LEU CYS ALA MET GLY PHE ASP ARG ASN ALA VAL ILE          
SEQRES  15 A  202  VAL ALA LEU SER SER LYS SER TRP ASP VAL GLU THR ALA          
SEQRES  16 A  202  THR GLU LEU LEU LEU SER ASN                                  
SEQRES   1 B  202  GLY SER MET ALA ASN ILE ALA VAL GLN ARG ILE LYS ARG          
SEQRES   2 B  202  GLU PHE LYS GLU VAL LEU LYS SER GLU GLU THR SER LYS          
SEQRES   3 B  202  ASN GLN ILE LYS VAL ASP LEU VAL ASP GLU ASN PHE THR          
SEQRES   4 B  202  GLU LEU ARG GLY GLU ILE ALA GLY PRO PRO ASP THR PRO          
SEQRES   5 B  202  TYR GLU GLY GLY ARG TYR GLN LEU GLU ILE LYS ILE PRO          
SEQRES   6 B  202  GLU THR TYR PRO PHE ASN PRO PRO LYS VAL ARG PHE ILE          
SEQRES   7 B  202  THR LYS ILE TRP HIS PRO ASN ILE SER SER VAL THR GLY          
SEQRES   8 B  202  ALA ILE CYS LEU ASP ILE LEU LYS ASP GLN TRP ALA ALA          
SEQRES   9 B  202  ALA MET THR LEU ARG THR VAL LEU LEU SER LEU GLN ALA          
SEQRES  10 B  202  LEU LEU ALA ALA ALA GLU PRO ASP ASP PRO GLN ASP ALA          
SEQRES  11 B  202  VAL VAL ALA ASN GLN TYR LYS GLN ASN PRO GLU MET PHE          
SEQRES  12 B  202  LYS GLN THR ALA ARG LEU TRP ALA HIS VAL TYR ALA GLY          
SEQRES  13 B  202  ALA PRO VAL SER SER PRO GLU TYR THR LYS LYS ILE GLU          
SEQRES  14 B  202  ASN LEU CYS ALA MET GLY PHE ASP ARG ASN ALA VAL ILE          
SEQRES  15 B  202  VAL ALA LEU SER SER LYS SER TRP ASP VAL GLU THR ALA          
SEQRES  16 B  202  THR GLU LEU LEU LEU SER ASN                                  
SEQRES   1 C  160  GLY SER MET SER GLY ILE ALA LEU SER ARG LEU ALA GLN          
SEQRES   2 C  160  GLU ARG LYS ALA TRP ARG LYS ASP HIS PRO PHE GLY PHE          
SEQRES   3 C  160  VAL ALA VAL PRO THR LYS ASN PRO ASP GLY THR MET ASN          
SEQRES   4 C  160  LEU MET ASN TRP GLU CYS ALA ILE PRO GLY LYS LYS GLY          
SEQRES   5 C  160  THR PRO TRP GLU GLY GLY LEU PHE LYS LEU ARG MET LEU          
SEQRES   6 C  160  PHE LYS ASP ASP TYR PRO SER SER PRO PRO LYS CYS LYS          
SEQRES   7 C  160  PHE GLU PRO PRO LEU PHE HIS PRO ASN VAL TYR PRO SER          
SEQRES   8 C  160  GLY THR VAL CYS LEU SER ILE LEU GLU GLU ASP LYS ASP          
SEQRES   9 C  160  TRP ARG PRO ALA ILE THR ILE LYS GLN ILE LEU LEU GLY          
SEQRES  10 C  160  ILE GLN GLU LEU LEU ASN GLU PRO ASN ILE GLN ASP PRO          
SEQRES  11 C  160  ALA GLN ALA GLU ALA TYR THR ILE TYR CYS GLN ASN ARG          
SEQRES  12 C  160  VAL GLU TYR GLU LYS ARG VAL ARG ALA GLN ALA LYS LYS          
SEQRES  13 C  160  PHE ALA PRO SER                                              
SEQRES   1 D  160  GLY SER MET SER GLY ILE ALA LEU SER ARG LEU ALA GLN          
SEQRES   2 D  160  GLU ARG LYS ALA TRP ARG LYS ASP HIS PRO PHE GLY PHE          
SEQRES   3 D  160  VAL ALA VAL PRO THR LYS ASN PRO ASP GLY THR MET ASN          
SEQRES   4 D  160  LEU MET ASN TRP GLU CYS ALA ILE PRO GLY LYS LYS GLY          
SEQRES   5 D  160  THR PRO TRP GLU GLY GLY LEU PHE LYS LEU ARG MET LEU          
SEQRES   6 D  160  PHE LYS ASP ASP TYR PRO SER SER PRO PRO LYS CYS LYS          
SEQRES   7 D  160  PHE GLU PRO PRO LEU PHE HIS PRO ASN VAL TYR PRO SER          
SEQRES   8 D  160  GLY THR VAL CYS LEU SER ILE LEU GLU GLU ASP LYS ASP          
SEQRES   9 D  160  TRP ARG PRO ALA ILE THR ILE LYS GLN ILE LEU LEU GLY          
SEQRES  10 D  160  ILE GLN GLU LEU LEU ASN GLU PRO ASN ILE GLN ASP PRO          
SEQRES  11 D  160  ALA GLN ALA GLU ALA TYR THR ILE TYR CYS GLN ASN ARG          
SEQRES  12 D  160  VAL GLU TYR GLU LYS ARG VAL ARG ALA GLN ALA LYS LYS          
SEQRES  13 D  160  PHE ALA PRO SER                                              
FORMUL   5  HOH   *39(H2 O)                                                     
HELIX    1   1 ALA A    2  LYS A   18  1                                  17    
HELIX    2   2 SER A   19  LYS A   24  1                                   6    
HELIX    3   3 LEU A   93  LYS A   97  5                                   5    
HELIX    4   4 THR A  105  LEU A  117  1                                  13    
HELIX    5   5 ASP A  127  ASN A  137  1                                  11    
HELIX    6   6 ASN A  137  GLY A  154  1                                  18    
HELIX    7   7 SER A  159  CYS A  170  1                                  12    
HELIX    8   8 ASP A  175  LYS A  186  1                                  12    
HELIX    9   9 ASP A  189  SER A  199  1                                  11    
HELIX   10  10 VAL B    6  GLU B   12  1                                   7    
HELIX   11  11 GLU B   12  SER B   19  1                                   8    
HELIX   12  12 LEU B   93  LYS B   97  5                                   5    
HELIX   13  13 THR B  105  ALA B  119  1                                  15    
HELIX   14  14 ASP B  127  ASN B  137  1                                  11    
HELIX   15  15 ASN B  137  ALA B  153  1                                  17    
HELIX   16  16 SER B  159  MET B  172  1                                  14    
HELIX   17  17 ASP B  175  LYS B  186  1                                  12    
HELIX   18  18 ASP B  189  LEU B  198  1                                  10    
HELIX   19  19 GLY C    3  ASP C   19  1                                  17    
HELIX   20  20 LEU C   94  GLU C   98  5                                   5    
HELIX   21  21 THR C  108  GLU C  122  1                                  15    
HELIX   22  22 GLN C  130  ASN C  140  1                                  11    
HELIX   23  23 ASN C  140  PHE C  155  1                                  16    
HELIX   24  24 SER D    2  ASP D   19  1                                  18    
HELIX   25  25 LEU D   94  GLU D   98  5                                   5    
HELIX   26  26 THR D  108  GLU D  122  1                                  15    
HELIX   27  27 GLN D  130  CYS D  138  1                                   9    
HELIX   28  28 ASN D  140  LYS D  154  1                                  15    
SHEET    1   A 4 ILE A  27  LEU A  31  0                                        
SHEET    2   A 4 GLU A  38  ALA A  44 -1  O  ARG A  40   N  ASP A  30           
SHEET    3   A 4 ARG A  55  LYS A  61 -1  O  LEU A  58   N  GLY A  41           
SHEET    4   A 4 LYS A  72  PHE A  75 -1  O  LYS A  72   N  LYS A  61           
SHEET    1   B 4 ILE B  27  LEU B  31  0                                        
SHEET    2   B 4 GLU B  38  ALA B  44 -1  O  ARG B  40   N  ASP B  30           
SHEET    3   B 4 ARG B  55  LYS B  61 -1  O  LEU B  58   N  GLY B  41           
SHEET    4   B 4 LYS B  72  PHE B  75 -1  O  ARG B  74   N  GLU B  59           
SHEET    1   C 4 VAL C  25  LYS C  30  0                                        
SHEET    2   C 4 MET C  36  PRO C  46 -1  O  ASN C  37   N  THR C  29           
SHEET    3   C 4 LEU C  57  LEU C  63 -1  O  PHE C  58   N  ILE C  45           
SHEET    4   C 4 LYS C  74  PHE C  77 -1  O  LYS C  76   N  ARG C  61           
SHEET    1   D 4 VAL D  25  PRO D  28  0                                        
SHEET    2   D 4 ASN D  40  PRO D  46 -1  O  GLU D  42   N  VAL D  27           
SHEET    3   D 4 LEU D  57  LEU D  63 -1  O  PHE D  58   N  ILE D  45           
SHEET    4   D 4 LYS D  74  PHE D  77 -1  O  LYS D  76   N  ARG D  61           
CISPEP   1 TYR A   66    PRO A   67          0        10.70                     
CISPEP   2 TYR B   66    PRO B   67          0        -1.50                     
CISPEP   3 TYR C   68    PRO C   69          0         4.66                     
CISPEP   4 GLU C   78    PRO C   79          0        -0.52                     
CISPEP   5 GLY D   34    THR D   35          0        -0.74                     
CISPEP   6 THR D   35    MET D   36          0         7.20                     
CISPEP   7 TYR D   68    PRO D   69          0         9.89                     
CISPEP   8 GLU D   78    PRO D   79          0        -0.79                     
CRYST1   41.874   68.498   91.277  85.05  80.85  75.83 P 1           2          
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      0.023881 -0.006031 -0.003554        0.00000                         
SCALE2      0.000000  0.015057 -0.000747        0.00000                         
SCALE3      0.000000  0.000000  0.011111        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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