home *** CD-ROM | disk | FTP | other *** search
/ The Datafile PD-CD 5 / DATAFILE_PDCD5.iso / rasmol / pdbfiles / pdb283d < prev    next >
Text File  |  1996-11-30  |  46KB  |  568 lines
  1. HEADER    RIBONUCLEIC ACID                        03-SEP-96   283D              
  2. TITLE     A CURVED RNA HELIX INCORPORATING AN INTERNAL LOOP WITH G-A            
  3. TITLE    2 AND A-A NON-WATSON-CRICK BASE PAIRING                                
  4. COMPND    MOL_ID: 1;                                                            
  5. COMPND   2 MOLECULE: RNA                                                        
  6. COMPND   3 (5'-R(*GP*GP*CP*CP*GP*AP*AP*AP*GP*GP*CP*C)-3');                      
  7. COMPND   4 CHAIN: A;                                                            
  8. COMPND   5 ENGINEERED: YES                                                      
  9. SOURCE    MOL_ID: 1;                                                            
  10. SOURCE   2 SYNTHETIC: YES;                                                      
  11. SOURCE   3 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
  12. SOURCE   4 EXPRESSION_SYSTEM_STRAIN: BL21;                                      
  13. SOURCE   5 EXPRESSION_SYSTEM_PLASMID: PAR1219                                   
  14. SOURCE   6 OTHER_DETAILS: THE DODECAMER WAS PREPARED BY TRANSCRIPTION           
  15. SOURCE   7 WITH T7 RNA POLYMERASE FROM A SINGLE STRANDED DNA TEMPLATE.          
  16. KEYWDS    UNUSUAL RNA, DOUBLE HELIX, CURVED, INTERNAL LOOP,                     
  17. KEYWDS   2 MISMATCHED, RIBONUCLEIC ACID                                         
  18. EXPDTA    X-RAY DIFFRACTION                                                     
  19. AUTHOR    K.J.BAEYENS,H.L.DE BONDT,A.PARDI,S.R.HOLBROOK                         
  20. REVDAT   1   08-NOV-96 283D    0                                                
  21. JRNL        AUTH   K.J.BAEYENS,H.L.DE BONDT,A.PARDI,S.R.HOLBROOK                
  22. JRNL        TITL   A CURVED RNA HELIX INCORPORATING AN INTERNAL LOOP            
  23. JRNL        TITL 2 WITH G-A AND A-A NON-WATSON-CRICK BASE PAIRING               
  24. JRNL        REF    TO BE PUBLISHED                                              
  25. JRNL        REFN                                                  0353          
  26. REMARK   2                                                                      
  27. REMARK   2 RESOLUTION. 2.30 ANGSTROMS.                                          
  28. REMARK   3                                                                      
  29. REMARK   3 REFINEMENT.                                                          
  30. REMARK   3   PROGRAM     : X-PLOR                                               
  31. REMARK   3   AUTHORS     : BRUNGER                                              
  32. REMARK   3                                                                      
  33. REMARK   3  DATA USED IN REFINEMENT.                                            
  34. REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.30                           
  35. REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 8.0                            
  36. REMARK   3   DATA CUTOFF            (SIGMA(F)) : 3.0                            
  37. REMARK   3   DATA CUTOFF HIGH         (ABS(F)) : NULL                           
  38. REMARK   3   DATA CUTOFF LOW          (ABS(F)) : NULL                           
  39. REMARK   3   COMPLETENESS (WORKING+TEST)   (%) : NULL                           
  40. REMARK   3   NUMBER OF REFLECTIONS             : 1502                           
  41. REMARK   3                                                                      
  42. REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
  43. REMARK   3   CROSS-VALIDATION METHOD          : FREE-R                          
  44. REMARK   3   FREE R VALUE TEST SET SELECTION  : RANDOM                          
  45. REMARK   3   R VALUE            (WORKING SET) : 0.186                           
  46. REMARK   3   FREE R VALUE                     : 0.198                           
  47. REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 10.0                            
  48. REMARK   3   FREE R VALUE TEST SET COUNT      : 138                             
  49. REMARK   3   ESTIMATED ERROR OF FREE R VALUE  : NULL                            
  50. REMARK   3                                                                      
  51. REMARK   3  FIT IN THE HIGHEST RESOLUTION BIN.                                  
  52. REMARK   3   TOTAL NUMBER OF BINS USED           : NULL                         
  53. REMARK   3   BIN RESOLUTION RANGE HIGH       (A) : NULL                         
  54. REMARK   3   BIN RESOLUTION RANGE LOW        (A) : NULL                         
  55. REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : NULL                         
  56. REMARK   3   REFLECTIONS IN BIN    (WORKING SET) : NULL                         
  57. REMARK   3   BIN R VALUE           (WORKING SET) : NULL                         
  58. REMARK   3   BIN FREE R VALUE                    : NULL                         
  59. REMARK   3   BIN FREE R VALUE TEST SET SIZE  (%) : NULL                         
  60. REMARK   3   BIN FREE R VALUE TEST SET COUNT     : NULL                         
  61. REMARK   3   ESTIMATED ERROR OF BIN FREE R VALUE : NULL                         
  62. REMARK   3                                                                      
  63. REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
  64. REMARK   3   PROTEIN ATOMS            : 0                                       
  65. REMARK   3   NUCLEIC ACID ATOMS       : 258                                     
  66. REMARK   3   HETEROGEN ATOMS          : 1                                       
  67. REMARK   3   SOLVENT ATOMS            : 18                                      
  68. REMARK   3                                                                      
  69. REMARK   3  B VALUES.                                                           
  70. REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
  71. REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 23.6                           
  72. REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
  73. REMARK   3    B11 (A**2) : NULL                                                 
  74. REMARK   3    B22 (A**2) : NULL                                                 
  75. REMARK   3    B33 (A**2) : NULL                                                 
  76. REMARK   3    B12 (A**2) : NULL                                                 
  77. REMARK   3    B13 (A**2) : NULL                                                 
  78. REMARK   3    B23 (A**2) : NULL                                                 
  79. REMARK   3                                                                      
  80. REMARK   3  ESTIMATED COORDINATE ERROR.                                         
  81. REMARK   3   ESD FROM LUZZATI PLOT        (A) : 0.30                            
  82. REMARK   3   ESD FROM SIGMAA              (A) : NULL                            
  83. REMARK   3   LOW RESOLUTION CUTOFF        (A) : NULL                            
  84. REMARK   3                                                                      
  85. REMARK   3  CROSS-VALIDATED ESTIMATED COORDINATE ERROR.                         
  86. REMARK   3   ESD FROM C-V LUZZATI PLOT    (A) : NULL                            
  87. REMARK   3   ESD FROM C-V SIGMAA          (A) : NULL                            
  88. REMARK   3                                                                      
  89. REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES.                                   
  90. REMARK   3   BOND LENGTHS                 (A) : 0.020                           
  91. REMARK   3   BOND ANGLES            (DEGREES) : 1.1                             
  92. REMARK   3   DIHEDRAL ANGLES        (DEGREES) : NULL                            
  93. REMARK   3   IMPROPER ANGLES        (DEGREES) : NULL                            
  94. REMARK   3                                                                      
  95. REMARK   3  ISOTROPIC THERMAL MODEL : NULL                                      
  96. REMARK   3                                                                      
  97. REMARK   3  ISOTROPIC THERMAL FACTOR RESTRAINTS.    RMS    SIGMA                
  98. REMARK   3   MAIN-CHAIN BOND              (A**2) : 1.300 ; NULL                 
  99. REMARK   3   MAIN-CHAIN ANGLE             (A**2) : 1.700 ; NULL                 
  100. REMARK   3   SIDE-CHAIN BOND              (A**2) : NULL  ; NULL