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Database: PDB
Entry: 4TZW
LinkDB: 4TZW
Original site: 4TZW 
HEADER    RIBOSOMAL PROTEIN/RNA                   11-JUL-14   4TZW              
TITLE     CO-CRYSTALS OF THE TERNARY COMPLEX CONTAINING A T-BOX STEM I RNA, ITS 
TITLE    2 COGNATE TRNAGLY, AND B. SUBTILIS YBXF PROTEIN, TREATED BY REMOVING   
TITLE    3 LITHIUM SULFATE AND REPLACING MG2+ WITH SR2+ POST CRYSTALLIZATION    
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: RIBOSOME-ASSOCIATED PROTEIN L7AE-LIKE;                     
COMPND   3 CHAIN: A;                                                            
COMPND   4 ENGINEERED: YES;                                                     
COMPND   5 MOL_ID: 2;                                                           
COMPND   6 MOLECULE: ENGINEERED TRNA;                                           
COMPND   7 CHAIN: B;                                                            
COMPND   8 ENGINEERED: YES;                                                     
COMPND   9 MOL_ID: 3;                                                           
COMPND  10 MOLECULE: T-BOX STEM I;                                              
COMPND  11 CHAIN: C;                                                            
COMPND  12 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS;                              
SOURCE   3 ORGANISM_TAXID: 1423;                                                
SOURCE   4 GENE: RPLGB, YBAB, YBXF, BSU01090;                                   
SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   6 EXPRESSION_SYSTEM_TAXID: 511693;                                     
SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21;                                      
SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE   9 MOL_ID: 2;                                                           
SOURCE  10 SYNTHETIC: YES;                                                      
SOURCE  11 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS;                              
SOURCE  12 ORGANISM_TAXID: 1423;                                                
SOURCE  13 MOL_ID: 3;                                                           
SOURCE  14 SYNTHETIC: YES;                                                      
SOURCE  15 ORGANISM_SCIENTIFIC: OCEANOBACILLUS IHEYENSIS HTE831;                
SOURCE  16 ORGANISM_TAXID: 221109                                               
KEYWDS    RNA, RIBOSWITCH, TRNA, T-BOX, RIBOSOMAL PROTEIN-RNA COMPLEX           
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    J.ZHANG,A.R.FERRE-D'AMARE                                             
REVDAT   2   24-SEP-14 4TZW    1       JRNL                                     
REVDAT   1   10-SEP-14 4TZW    0                                                
JRNL        AUTH   J.ZHANG,A.R.FERRE-D'AMARE                                    
JRNL        TITL   DRAMATIC IMPROVEMENT OF CRYSTALS OF LARGE RNAS BY CATION     
JRNL        TITL 2 REPLACEMENT AND DEHYDRATION.                                 
JRNL        REF    STRUCTURE                     V.  22  1363 2014              
JRNL        REFN                   ISSN 0969-2126                               
JRNL        PMID   25185828                                                     
JRNL        DOI    10.1016/J.STR.2014.07.011                                    
REMARK   1                                                                      
REMARK   1 REFERENCE 1                                                          
REMARK   1  AUTH   J.ZHANG,A.R.FERRE-D'AMARE                                    
REMARK   1  TITL   CO-CRYSTAL STRUCTURE OF A T-BOX RIBOSWITCH STEM I DOMAIN IN  
REMARK   1  TITL 2 COMPLEX WITH ITS COGNATE TRNA.                               
REMARK   1  REF    NATURE                        V. 500   363 2013              
REMARK   1  REFN                   ESSN 1476-4687                               
REMARK   1  PMID   23892783                                                     
REMARK   1  DOI    10.1038/NATURE12440                                          
REMARK   2                                                                      
REMARK   2 RESOLUTION.    4.67 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX (PHENIX.REFINE: 1.8.4_1496)                   
REMARK   3   AUTHORS     : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN            
REMARK   3               : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE,           
REMARK   3               : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER,            
REMARK   3               : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY,              
REMARK   3               : REETAL PAI,RANDY READ,JANE RICHARDSON,               
REMARK   3               : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI,           
REMARK   3               : NICHOLAS SAUTER,JACOB SMITH,LAURENT                  
REMARK   3               : STORONI,TOM TERWILLIGER,PETER ZWART                  
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : ML                                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 4.67                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 45.79                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.350                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 97.8                           
REMARK   3   NUMBER OF REFLECTIONS             : 7638                           
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.271                           
REMARK   3   R VALUE            (WORKING SET) : 0.264                           
REMARK   3   FREE R VALUE                     : 0.331                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 10.030                          
REMARK   3   FREE R VALUE TEST SET COUNT      : 766                             
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 45.7886 -  7.9759    0.96     1355   155  0.2485 0.2929        
REMARK   3     2  7.9759 -  6.3360    0.97     1369   151  0.3010 0.3896        
REMARK   3     3  6.3360 -  5.5367    0.98     1392   152  0.2377 0.3707        
REMARK   3     4  5.5367 -  5.0311    0.99     1382   153  0.2635 0.3468        
REMARK   3     5  5.0311 -  4.6710    0.99     1374   155  0.3393 0.4041        
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED        : FLAT BULK SOLVENT MODEL                       
REMARK   3   SOLVENT RADIUS     : 1.11                                          
REMARK   3   SHRINKAGE RADIUS   : 0.90                                          
REMARK   3   K_SOL              : NULL                                          
REMARK   3   B_SOL              : NULL                                          
REMARK   3                                                                      
REMARK   3  ERROR ESTIMATES.                                                    
REMARK   3   COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED)     : 0.780            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 40.840           
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : NULL                           
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : NULL                                                 
REMARK   3    B22 (A**2) : NULL                                                 
REMARK   3    B33 (A**2) : NULL                                                 
REMARK   3    B12 (A**2) : NULL                                                 
REMARK   3    B13 (A**2) : NULL                                                 
REMARK   3    B23 (A**2) : NULL                                                 
REMARK   3                                                                      
REMARK   3  TWINNING INFORMATION.                                               
REMARK   3   FRACTION: NULL                                                     
REMARK   3   OPERATOR: NULL                                                     
REMARK   3                                                                      
REMARK   3  DEVIATIONS FROM IDEAL VALUES.                                       
REMARK   3                 RMSD          COUNT                                  
REMARK   3   BOND      :  0.009           4769                                  
REMARK   3   ANGLE     :  1.681           7334                                  
REMARK   3   CHIRALITY :  0.069            983                                  
REMARK   3   PLANARITY :  0.007            265                                  
REMARK   3   DIHEDRAL  : 17.787           2286                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : NULL                                       
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 4TZW COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 16-JUL-14.                  
REMARK 100 THE DEPOSITION ID IS D_1000202581.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 31-JUL-13                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 6.5-7.0                            
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : APS                                
REMARK 200  BEAMLINE                       : 24-ID-C                            
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.9793                             
REMARK 200  MONOCHROMATOR                  : KOHZU HLD8-24 MONOCHROMATOR        
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : PIXEL                              
REMARK 200  DETECTOR MANUFACTURER          : DECTRIS PILATUS 6M-F               
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : NULL                               
REMARK 200  DATA SCALING SOFTWARE          : NULL                               
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 4428                               
REMARK 200  RESOLUTION RANGE HIGH      (A) : 4.670                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 45.790                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 98.2                               
REMARK 200  DATA REDUNDANCY                : 6.700                              
REMARK 200  R MERGE                    (I) : 0.05200                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 15.2000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 4.67                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 4.84                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 99.0                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 7.20                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.99000                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 1.900                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: NULL                                                  
REMARK 200 STARTING MODEL: 4LCK                                                 
REMARK 200                                                                      
REMARK 200 REMARK: RECTANGULAR OR RHOMBIC PLATES                                
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 57.56                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.90                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 50 MM BIS-TRIS (HCL) PH 6.5, 300 MM      
REMARK 280  LI2SO4, AND 20% (W/V) PEG3350, VAPOR DIFFUSION, HANGING DROP,       
REMARK 280  TEMPERATURE 293K                                                    
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 43 21 2                        
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   -Y+1/2,X+1/2,Z+3/4                                      
REMARK 290       4555   Y+1/2,-X+1/2,Z+1/4                                      
REMARK 290       5555   -X+1/2,Y+1/2,-Z+3/4                                     
REMARK 290       6555   X+1/2,-Y+1/2,-Z+1/4                                     
REMARK 290       7555   Y,X,-Z                                                  
REMARK 290       8555   -Y,-X,-Z+1/2                                            
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      134.47100            
REMARK 290   SMTRY1   3  0.000000 -1.000000  0.000000       37.65800            
REMARK 290   SMTRY2   3  1.000000  0.000000  0.000000       37.65800            
REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000      201.70650            
REMARK 290   SMTRY1   4  0.000000  1.000000  0.000000       37.65800            
REMARK 290   SMTRY2   4 -1.000000  0.000000  0.000000       37.65800            
REMARK 290   SMTRY3   4  0.000000  0.000000  1.000000       67.23550            
REMARK 290   SMTRY1   5 -1.000000  0.000000  0.000000       37.65800            
REMARK 290   SMTRY2   5  0.000000  1.000000  0.000000       37.65800            
REMARK 290   SMTRY3   5  0.000000  0.000000 -1.000000      201.70650            
REMARK 290   SMTRY1   6  1.000000  0.000000  0.000000       37.65800            
REMARK 290   SMTRY2   6  0.000000 -1.000000  0.000000       37.65800            
REMARK 290   SMTRY3   6  0.000000  0.000000 -1.000000       67.23550            
REMARK 290   SMTRY1   7  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY2   7  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3   7  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   8  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY2   8 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3   8  0.000000  0.000000 -1.000000      134.47100            
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: TRIMERIC                          
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TRIMERIC                   
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 9540 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 31920 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -1015.0 KCAL/MOL                      
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, 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 375                                                                      
REMARK 375 SPECIAL POSITION                                                     
REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS            
REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL          
REMARK 375 POSITIONS.                                                           
REMARK 375                                                                      
REMARK 375 ATOM RES CSSEQI                                                      
REMARK 375 SR    SR B 101  LIES ON A SPECIAL POSITION.                          
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 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     ASP A   4    CG   OD1  OD2                                       
REMARK 470     LYS A   5    CG   CD   CE   NZ                                   
REMARK 470     LYS A  10    CG   CD   CE   NZ                                   
REMARK 470     LYS A  17    CG   CD   CE   NZ                                   
REMARK 470     LYS A  21    CD   CE   NZ                                        
REMARK 470     LYS A  29    CG   CD   CE   NZ                                   
REMARK 470     LYS A  35    CD   CE   NZ                                        
REMARK 470     ASP A  38    CG   OD1  OD2                                       
REMARK 470     LEU A  48    CG   CD1  CD2                                       
REMARK 470     ASP A  51    CG   OD1  OD2                                       
REMARK 470     GLU A  60    CG   CD   OE1  OE2                                  
REMARK 470     LYS A  63    CD   CE   NZ                                        
REMARK 470     LYS A  64    CD   CE   NZ                                        
REMARK 470     LYS A  67    CD   CE   NZ                                        
REMARK 470     ILE A  71    CG1  CG2  CD1                                       
REMARK 470     GLU A  72    CG   CD   OE1  OE2                                  
REMARK 470     ILE A  81    CG1  CG2  CD1                                       
REMARK 470       U B  16    N1   C2   O2   N3   C4   O4   C5                    
REMARK 470       U B  16    C6                                                  
REMARK 470       U B  46    N1   C2   O2   N3   C4   O4   C5                    
REMARK 470       U B  46    C6                                                  
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  SR     SR C   202    SR     SR C   221              2.16            
REMARK 500   O2     C B    30     N2     G B    39              2.19            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
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      A B   9   N9      A B   9   C4      0.038                       
REMARK 500      G B  72   N9      G B  72   C4     -0.054                       
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    LEU A  41   CA  -  CB  -  CG  ANGL. DEV. =  15.6 DEGREES          
REMARK 500      U B   8   C6  -  N1  -  C2  ANGL. DEV. =  -4.1 DEGREES          
REMARK 500      G B  17   C8  -  N9  -  C4  ANGL. DEV. =   4.1 DEGREES          
REMARK 500      G B  17   N9  -  C4  -  C5  ANGL. DEV. =  -3.7 DEGREES          
REMARK 500      G B  17   N1  -  C6  -  O6  ANGL. DEV. =   4.0 DEGREES          
REMARK 500      G B  17   C5  -  C6  -  O6  ANGL. DEV. =  -3.9 DEGREES          
REMARK 500      G B  18   O4' -  C1' -  N9  ANGL. DEV. =  -5.8 DEGREES          
REMARK 500      G B  18   C8  -  N9  -  C4  ANGL. DEV. =   3.2 DEGREES          
REMARK 500      C B  27   N1  -  C2  -  O2  ANGL. DEV. =   4.3 DEGREES          
REMARK 500      G B  33   O5' -  P   -  OP2 ANGL. DEV. =  -5.9 DEGREES          
REMARK 500      C B  60   C6  -  N1  -  C2  ANGL. DEV. =  -2.6 DEGREES          
REMARK 500      G B  72   N9  -  C1' -  C2' ANGL. DEV. =  -7.5 DEGREES          
REMARK 500      G B  72   N3  -  C4  -  C5  ANGL. DEV. =   4.1 DEGREES          
REMARK 500      G B  72   C8  -  N9  -  C4  ANGL. DEV. =   3.1 DEGREES          
REMARK 500      G B  72   C8  -  N9  -  C1' ANGL. DEV. =   7.9 DEGREES          
REMARK 500      G B  72   C4  -  N9  -  C1' ANGL. DEV. = -12.1 DEGREES          
REMARK 500      G C   3   C4  -  C5  -  N7  ANGL. DEV. =  -2.6 DEGREES          
REMARK 500      G C   3   C5  -  C6  -  O6  ANGL. DEV. =   4.1 DEGREES          
REMARK 500      G C  15   N3  -  C4  -  C5  ANGL. DEV. =   3.3 DEGREES          
REMARK 500      C C  34   C5  -  C6  -  N1  ANGL. DEV. =   3.5 DEGREES          
REMARK 500      U C  37   C5  -  C6  -  N1  ANGL. DEV. =   3.4 DEGREES          
REMARK 500      G C  38   O3' -  P   -  OP2 ANGL. DEV. =   6.9 DEGREES          
REMARK 500      A C  39   C2  -  N3  -  C4  ANGL. DEV. =  -3.1 DEGREES          
REMARK 500      A C  39   N1  -  C6  -  N6  ANGL. DEV. =   4.8 DEGREES          
REMARK 500      A C  42   N3  -  C4  -  N9  ANGL. DEV. =   4.9 DEGREES          
REMARK 500      G C  43   C2  -  N3  -  C4  ANGL. DEV. =  -3.1 DEGREES          
REMARK 500      G C  43   N3  -  C4  -  C5  ANGL. DEV. =   4.2 DEGREES          
REMARK 500      G C  43   C5  -  C6  -  N1  ANGL. DEV. =  -3.2 DEGREES          
REMARK 500      G C  43   C5  -  N7  -  C8  ANGL. DEV. =  -3.7 DEGREES          
REMARK 500      G C  43   N7  -  C8  -  N9  ANGL. DEV. =   3.5 DEGREES          
REMARK 500      C C  44   C6  -  N1  -  C2  ANGL. DEV. =   5.8 DEGREES          
REMARK 500      C C  44   N3  -  C4  -  C5  ANGL. DEV. =   2.4 DEGREES          
REMARK 500      U C  50   O5' -  P   -  OP2 ANGL. DEV. = -11.5 DEGREES          
REMARK 500      G C  57   C8  -  N9  -  C4  ANGL. DEV. =  -3.3 DEGREES          
REMARK 500      U C  58   N3  -  C2  -  O2  ANGL. DEV. =  -4.4 DEGREES          
REMARK 500      G C  59   C8  -  N9  -  C4  ANGL. DEV. =   2.7 DEGREES          
REMARK 500      G C  59   N9  -  C4  -  C5  ANGL. DEV. =  -2.6 DEGREES          
REMARK 500      G C  63   C8  -  N9  -  C4  ANGL. DEV. =  -3.4 DEGREES          
REMARK 500      G C  74   N3  -  C4  -  C5  ANGL. DEV. =   3.2 DEGREES          
REMARK 500      C C  89   C6  -  N1  -  C2  ANGL. DEV. =  -2.5 DEGREES          
REMARK 500      C C  94   C5  -  C6  -  N1  ANGL. DEV. =   3.9 DEGREES          
REMARK 500      A C  96   N1  -  C2  -  N3  ANGL. DEV. =   3.1 DEGREES          
REMARK 500      A C  99   N9  -  C4  -  C5  ANGL. DEV. =  -2.6 DEGREES          
REMARK 500      A C  99   C6  -  C5  -  N7  ANGL. DEV. =  -4.5 DEGREES          
REMARK 500      A C  99   N1  -  C6  -  N6  ANGL. DEV. =   3.7 DEGREES          
REMARK 500      C C 100   C5  -  C6  -  N1  ANGL. DEV. =   4.8 DEGREES          
REMARK 500      C C 102   N3  -  C4  -  C5  ANGL. DEV. =   2.5 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    GLN A   8      159.24    -46.55                                   
REMARK 500    ALA A   9     -174.24    102.13                                   
REMARK 500    LYS A  10      -68.98   -102.61                                   
REMARK 500    GLU A  60      -97.30    -58.41                                   
REMARK 500    GLU A  72       57.20   -100.24                                   
REMARK 500    VAL A  73      -21.59   -155.88                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS                                         
REMARK 500                                                                      
REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH          
REMARK 500 CIS AND TRANS CONFORMATION.  CIS BONDS, IF ANY, ARE LISTED           
REMARK 500 ON CISPEP RECORDS.  TRANS IS DEFINED AS 180 +/- 30 AND               
REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES.                                  
REMARK 500                                 MODEL     OMEGA                      
REMARK 500 GLN A    8     ALA A    9                  147.38                    
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 620                                                                      
REMARK 620 METAL COORDINATION                                                   
REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):                             
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              SR B 111  SR                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1   G B  52   O6                                                     
REMARK 620 2   A B  57   O2'  91.3                                              
REMARK 620 N                    1                                               
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              SR C 206  SR                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1   G C   7   N1                                                     
REMARK 620 2   G C  97   N7  102.8                                              
REMARK 620 N                    1                                               
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              SR C 219  SR                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1   U C  40   O3'                                                    
REMARK 620 2   U C  41   OP1  56.9                                              
REMARK 620 N                    1                                               
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              SR C 221  SR                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1   C C 102   O3'                                                    
REMARK 620 2   C C 102   O2'  58.1                                              
REMARK 620 3   A C  39   OP2  56.2  77.7                                        
REMARK 620 N                    1     2                                         
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue SR B 104                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue SR B 105                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue SR B 106                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue SR B 108                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue SR B 110                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC6                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue SR B 111                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC7                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue SR B 112                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC8                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue SR B 113                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC9                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue SR B 115                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AD1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue SR C 201                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AD2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue SR C 202                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AD3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue SR C 203                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AD4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue SR C 204                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AD5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue SR C 205                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AD6                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue SR C 206                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AD7                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue SR C 208                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AD8                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue SR C 209                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AD9                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue SR C 211                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AE1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue SR C 213                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AE2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue SR C 214                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AE3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue SR C 218                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AE4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue SR C 219                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AE5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue SR C 220                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AE6                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue SR C 221                  
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 4LCK   RELATED DB: PDB                                   
REMARK 900 4LCK CONTAINS CO-CRYSTALS FULLY TREATED BY CONCURRENT ION EXCHANGE   
REMARK 900 AND DEHYDRATION                                                      
REMARK 900 RELATED ID: 4TZP   RELATED DB: PDB                                   
REMARK 900 4TZP CONTAIN UNTREATED, AS GROWN CO-CRYSTALS OF THE T-BOX TERNARY    
REMARK 900 COMPLEX                                                              
REMARK 900 RELATED ID: 4TZV   RELATED DB: PDB                                   
REMARK 900 4TZV CONTAINS CO-CRYSTALS THAT WAS SUBJECTED TO REMOVAL OF LITHIUM   
REMARK 900 SULFATE                                                              
REMARK 900 RELATED ID: 4TZX   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 4TZY   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 4TZZ   RELATED DB: PDB                                   
DBREF  4TZW A    2    82  UNP    P46350   RXL7_BACSU       2     82             
DBREF  4TZW B    5    79  PDB    4TZW     4TZW             5     79             
DBREF  4TZW C    1   102  PDB    4TZW     4TZW             1    102             
SEQADV 4TZW GLY A    1  UNP  P46350              EXPRESSION TAG                 
SEQRES   1 A   82  GLY SER TYR ASP LYS VAL SER GLN ALA LYS SER ILE ILE          
SEQRES   2 A   82  ILE GLY THR LYS GLN THR VAL LYS ALA LEU LYS ARG GLY          
SEQRES   3 A   82  SER VAL LYS GLU VAL VAL VAL ALA LYS ASP ALA ASP PRO          
SEQRES   4 A   82  ILE LEU THR SER SER VAL VAL SER LEU ALA GLU ASP GLN          
SEQRES   5 A   82  GLY ILE SER VAL SER MSE VAL GLU SER MSE LYS LYS LEU          
SEQRES   6 A   82  GLY LYS ALA CYS GLY ILE GLU VAL GLY ALA ALA ALA VAL          
SEQRES   7 A   82  ALA ILE ILE LEU                                              
SEQRES   1 B   75    G   A   G   U   A   G   U   U   C   A   G   U   G          
SEQRES   2 B   75    G   U   A   G   A   A   C   A   C   C   A   C   C          
SEQRES   3 B   75    U   U   G   C   C   A   A   G   G   U   G   G   G          
SEQRES   4 B   75    G   G   U   C   G   C   G   G   G   U   U   C   G          
SEQRES   5 B   75    A   A   U   C   C   C   G   U   C   U   C   G   G          
SEQRES   6 B   75    G   C   G   A   A   A   G   C   C   C                      
SEQRES   1 C  102    G   G   G   U   G   C   G   A   U   G   A   G   A          
SEQRES   2 C  102    A   G   A   A   G   A   G   U   A   U   U   A   A          
SEQRES   3 C  102    G   G   A   U   U   U   A   C   U   A   U   G   A          
SEQRES   4 C  102    U   U   A   G   C   G   A   C   U   C   U   A   G          
SEQRES   5 C  102    G   A   U   A   G   U   G   A   A   A   G   C   U          
SEQRES   6 C  102    A   G   A   G   G   A   U   A   G   U   A   A   C          
SEQRES   7 C  102    C   U   U   A   A   G   A   A   G   G   C   A   C          
SEQRES   8 C  102    U   U   C   G   A   G   C   A   C   C   C                  
MODRES 4TZW MSE A   58  MET  MODIFIED RESIDUE                                   
MODRES 4TZW MSE A   62  MET  MODIFIED RESIDUE                                   
HET    MSE  A  58       8                                                       
HET    MSE  A  62       8                                                       
HET     SR  B 101       1                                                       
HET     SR  B 102       1                                                       
HET     SR  B 103       1                                                       
HET     SR  B 104       1                                                       
HET     SR  B 105       1                                                       
HET     SR  B 106       1                                                       
HET     SR  B 107       1                                                       
HET     SR  B 108       1                                                       
HET     SR  B 109       1                                                       
HET     SR  B 110       1                                                       
HET     SR  B 111       1                                                       
HET     SR  B 112       1                                                       
HET     SR  B 113       1                                                       
HET     SR  B 114       1                                                       
HET     SR  B 115       1                                                       
HET     SR  C 201       1                                                       
HET     SR  C 202       1                                                       
HET     SR  C 203       1                                                       
HET     SR  C 204       1                                                       
HET     SR  C 205       1                                                       
HET     SR  C 206       1                                                       
HET     SR  C 207       1                                                       
HET     SR  C 208       1                                                       
HET     SR  C 209       1                                                       
HET     SR  C 210       1                                                       
HET     SR  C 211       1                                                       
HET     SR  C 212       1                                                       
HET     SR  C 213       1                                                       
HET     SR  C 214       1                                                       
HET     SR  C 215       1                                                       
HET     SR  C 216       1                                                       
HET     SR  C 217       1                                                       
HET     SR  C 218       1                                                       
HET     SR  C 219       1                                                       
HET     SR  C 220       1                                                       
HET     SR  C 221       1                                                       
HETNAM     MSE SELENOMETHIONINE                                                 
HETNAM      SR STRONTIUM ION                                                    
FORMUL   1  MSE    2(C5 H11 N O2 SE)                                            
FORMUL   4   SR    36(SR 2+)                                                    
HELIX    1 AA1 TYR A    3  GLN A    8  1                                   6    
HELIX    2 AA2 GLY A   15  LYS A   24  1                                  10    
HELIX    3 AA3 ASP A   38  GLY A   53  1                                  16    
HELIX    4 AA4 SER A   61  CYS A   69  1                                   9    
SHEET    1 AA1 4 ILE A  12  ILE A  14  0                                        
SHEET    2 AA1 4 ALA A  77  ILE A  80 -1  O  ALA A  79   N  ILE A  13           
SHEET    3 AA1 4 GLU A  30  ALA A  34 -1  N  VAL A  32   O  VAL A  78           
SHEET    4 AA1 4 VAL A  56  VAL A  59  1  O  VAL A  59   N  VAL A  33           
LINK         C   SER A  57                 N   MSE A  58     1555   1555  1.33  
LINK         C   MSE A  58                 N   VAL A  59     1555   1555  1.34  
LINK         C   SER A  61                 N   MSE A  62     1555   1555  1.34  
LINK         C   MSE A  62                 N   LYS A  63     1555   1555  1.33  
LINK         O6    G B  41                SR    SR B 108     1555   1555  2.92  
LINK         O6    G B  52                SR    SR B 111     1555   1555  2.96  
LINK         O4    U B  54                SR    SR B 106     1555   1555  2.98  
LINK         O2'   A B  57                SR    SR B 111     1555   1555  2.73  
LINK         N1    G C   7                SR    SR C 206     1555   1555  2.54  
LINK         O6    G C  18                SR    SR C 209     1555   1555  2.59  
LINK         O3'   U C  40                SR    SR C 219     1555   1555  2.60  
LINK         OP1   U C  41                SR    SR C 219     1555   1555  2.59  
LINK         O6    G C  43                SR    SR C 201     1555   1555  2.69  
LINK         O2'   U C  50                SR    SR C 208     1555   1555  2.67  
LINK         N7    G C  97                SR    SR C 206     1555   1555  2.69  
LINK         O3'   C C 102                SR    SR C 221     1555   1555  2.42  
LINK         O2'   C C 102                SR    SR C 221     1555   1555  2.94  
LINK         OP2   A C  39                SR    SR C 221     1555   7545  2.75  
SITE     1 AC1  2   G B  43   SR B 112                                          
SITE     1 AC2  2   G B  50    G B  51                                          
SITE     1 AC3  1   U B  54                                                     
SITE     1 AC4  2   G B  41    G B  42                                          
SITE     1 AC5  2   U B   8    A B   9                                          
SITE     1 AC6  2   G B  52    A B  57                                          
SITE     1 AC7  2   G B  44   SR B 104                                          
SITE     1 AC8  1   G B  33                                                     
SITE     1 AC9  1   A B  37                                                     
SITE     1 AD1  1   G C  43                                                     
SITE     1 AD2  4   A C  39    U C  40    C C 102   SR C 221                    
SITE     1 AD3  2   G C  59   SR C 214                                          
SITE     1 AD4  2   G C  52    G C  53                                          
SITE     1 AD5  1   A C  11                                                     
SITE     1 AD6  2   G C   7    G C  97                                          
SITE     1 AD7  1   U C  50                                                     
SITE     1 AD8  2   A C  17    G C  18                                          
SITE     1 AD9  2   A C   8    U C   9                                          
SITE     1 AE1  1   G C  15                                                     
SITE     1 AE2  2   G C  59   SR C 203                                          
SITE     1 AE3  1   C C  79                                                     
SITE     1 AE4  2   U C  40    U C  41                                          
SITE     1 AE5  3   A C  16    A C  17    A C  90                               
SITE     1 AE6  3   A C  39    C C 102   SR C 202                               
CRYST1   75.316   75.316  268.942  90.00  90.00  90.00 P 43 21 2     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      0.013277  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.013277  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.003718        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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