data_2A2T

loop_
_pdbx_vrpt_database.id
_pdbx_vrpt_database.code
PDB  2A2T    
NDB  BD0088  
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    2A2T
_pdbx_vrpt_summary.PDB_deposition_date         2005-06-23
_pdbx_vrpt_summary.PDB_revision_number         4
_pdbx_vrpt_summary.PDB_revision_date           2024-03-13
_pdbx_vrpt_summary.report_creation_date        2024-03-05:04:15
_pdbx_vrpt_summary.attempted_validation_steps  molprobity,validation-pack,xtriage,eds,mogul,percentiles,writexml,writecif,writepdf
_pdbx_vrpt_summary.ligands_for_buster_report   N
#
loop_
_pdbx_vrpt_entity.id
_pdbx_vrpt_entity.type
_pdbx_vrpt_entity.description
1  polymer      "5'-D(*AP*AP*AP*TP*AP*TP*TP*T)-3'"  
2  non-polymer  "MANGANESE (II) ION"  
3  non-polymer  "CACODYLATE ION"  
4  water        water  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A   1  
B   1  
C   1  
D   1  
E   1  
F   1  
G   1  
H   1  
I   1  
J   1  
K   1  
L   2  
M   2  
N   2  
O   2  
P   2  
Q   2  
R   3  
S   3  
T   3  
U   3  
V   3  
W   3  
X   4  
Y   4  
Z   4  
AA  4  
BA  4  
CA  4  
DA  4  
EA  4  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all  x-ray  
2  3.1  x-ray  
#
loop_
_pdbx_vrpt_percentile_type.id
_pdbx_vrpt_percentile_type.type
1  all_atom_clashscore  
2  R_value_R_free       
#
loop_
_pdbx_vrpt_percentile_conditions.id
_pdbx_vrpt_percentile_conditions.percentile_list_id
_pdbx_vrpt_percentile_conditions.type_id
_pdbx_vrpt_percentile_conditions.rank
_pdbx_vrpt_percentile_conditions.number_entries_total
_pdbx_vrpt_percentile_conditions.res_high
_pdbx_vrpt_percentile_conditions.res_low
1  1  1  33.55  141614     ?     ?  
2  2  1  66.72    1184  3.10  3.10  
3  1  2   0.50  130704     ?     ?  
4  2  2   1.17    1094  3.10  3.10  
#
loop_
_pdbx_vrpt_summary_entity_geometry.ordinal
_pdbx_vrpt_summary_entity_geometry.PDB_model_num
_pdbx_vrpt_summary_entity_geometry.entity_id
_pdbx_vrpt_summary_entity_geometry.label_asym_id
_pdbx_vrpt_summary_entity_geometry.auth_asym_id
_pdbx_vrpt_summary_entity_geometry.angles_RMSZ
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ
 1  1  1  A  A  1.55  0.76  180  276  
 2  1  1  B  G  1.47  0.71  180  276  
 3  1  1  C  B  1.50  0.77  180  276  
 4  1  1  D  H  1.92  0.70  180  276  
 5  1  1  E  C  1.46  0.73  180  276  
 6  1  1  F  I  1.86  0.81  180  276  
 7  1  1  G  D  1.67  0.73  180  276  
 8  1  1  H  J  1.56  0.78  180  276  
 9  1  1  I  E  1.87  0.77  180  276  
10  1  1  J  K  1.51  0.79  180  276  
11  1  1  K  F  1.39  0.61  180  276  
#
_pdbx_vrpt_summary_geometry.ordinal          1
_pdbx_vrpt_summary_geometry.clashscore       8.45
_pdbx_vrpt_summary_geometry.num_H_reduce     1034
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ   1980
_pdbx_vrpt_summary_geometry.bonds_RMSZ       0.75
_pdbx_vrpt_summary_geometry.num_angles_RMSZ  3036
_pdbx_vrpt_summary_geometry.angles_RMSZ      1.62
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            66.466
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         49.359
_pdbx_vrpt_summary_diffraction.I_over_sigma              1.09(2.77A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        7883
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.294
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.422
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.281
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.908
_pdbx_vrpt_summary_diffraction.twin_fraction             -h,-k,l:0.000
_pdbx_vrpt_summary_diffraction.DCC_R                     0.30
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.36
_pdbx_vrpt_summary_diffraction.EDS_R                     0.33
_pdbx_vrpt_summary_diffraction.EDS_res_high              2.78
_pdbx_vrpt_summary_diffraction.EDS_res_low               36.90
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[66.032,81.375,39.412,0.000,34.998,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.674
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The analyses of the Patterson function reveals a significant off-origin peak that is 36.18 % of the origin peak, indicating pseudo-translational symmetry.  The chance of finding a peak of this or larger height by random in a structure without pseudo-translational symmetry is equal to 5.2042e-04. The detected translational NCS is most likely also responsible for the elevated intensity ratio.  See the relevant section of the logfile for more details."
_pdbx_vrpt_summary_diffraction.B_factor_type             FULL
_pdbx_vrpt_summary_diffraction.acentric_outliers         37
_pdbx_vrpt_summary_diffraction.centric_outliers          5
_pdbx_vrpt_summary_diffraction.data_completeness         98.82
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      362
_pdbx_vrpt_summary_diffraction.percent_free_reflections  4.59
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       3.10
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        15.00
_pdbx_vrpt_summary_diffraction.PDB_R                     0.28
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.36
#
loop_
_pdbx_vrpt_model_instance.id
_pdbx_vrpt_model_instance.PDB_model_num
_pdbx_vrpt_model_instance.entity_id
_pdbx_vrpt_model_instance.label_asym_id
_pdbx_vrpt_model_instance.label_seq_id
_pdbx_vrpt_model_instance.label_comp_id
_pdbx_vrpt_model_instance.auth_asym_id
_pdbx_vrpt_model_instance.auth_seq_id
_pdbx_vrpt_model_instance.label_alt_id
_pdbx_vrpt_model_instance.PDB_ins_code
_pdbx_vrpt_model_instance.count_angle_outliers
_pdbx_vrpt_model_instance.count_clashes
  1  1  1  A   1  DA   A    1  .  ?        1     1  
  2  1  1  A   2  DA   A    2  .  ?        ?     1  
  3  1  1  A   3  DA   A    3  .  ?        ?     ?  
  4  1  1  A   4  DT   A    4  .  ?        1     ?  
  5  1  1  A   5  DA   A    5  .  ?        1     1  
  6  1  1  A   6  DT   A    6  .  ?        ?     ?  
  7  1  1  A   7  DT   A    7  .  ?        1     ?  
  8  1  1  A   8  DT   A    8  .  ?        ?     ?  
  9  1  1  B   1  DA   G    9  .  ?        ?     2  
 10  1  1  B   2  DA   G   10  .  ?        ?     1  
 11  1  1  B   3  DA   G   11  .  ?        ?     1  
 12  1  1  B   4  DT   G   12  .  ?        1     1  
 13  1  1  B   5  DA   G   13  .  ?        ?     3  
 14  1  1  B   6  DT   G   14  .  ?        ?     1  
 15  1  1  B   7  DT   G   15  .  ?        ?     ?  
 16  1  1  B   8  DT   G   16  .  ?        ?     ?  
 17  1  1  C   1  DA   B    1  .  ?        1     ?  
 18  1  1  C   2  DA   B    2  .  ?        ?     ?  
 19  1  1  C   3  DA   B    3  .  ?        ?     ?  
 20  1  1  C   4  DT   B    4  .  ?        2     ?  
 21  1  1  C   5  DA   B    5  .  ?        ?     1  
 22  1  1  C   6  DT   B    6  .  ?        ?     1  
 23  1  1  C   7  DT   B    7  .  ?        ?     1  
 24  1  1  C   8  DT   B    8  .  ?        1     ?  
 25  1  1  D   1  DA   H    9  .  ?        ?     ?  
 26  1  1  D   2  DA   H   10  .  ?        ?     ?  
 27  1  1  D   3  DA   H   11  .  ?        ?     ?  
 28  1  1  D   4  DT   H   12  .  ?        1     ?  
 29  1  1  D   5  DA   H   13  .  ?        1     1  
 30  1  1  D   6  DT   H   14  .  ?        1     ?  
 31  1  1  D   7  DT   H   15  .  ?        1     ?  
 32  1  1  D   8  DT   H   16  .  ?        3     ?  
 33  1  1  E   1  DA   C    1  .  ?        ?     ?  
 34  1  1  E   2  DA   C    2  .  ?        ?     ?  
 35  1  1  E   3  DA   C    3  .  ?        ?     1  
 36  1  1  E   4  DT   C    4  .  ?        ?     1  
 37  1  1  E   5  DA   C    5  .  ?        ?     1  
 38  1  1  E   6  DT   C    6  .  ?        ?     1  
 39  1  1  E   7  DT   C    7  .  ?        ?     1  
 40  1  1  E   8  DT   C    8  .  ?        1     ?  
 41  1  1  F   1  DA   I    9  .  ?        ?     1  
 42  1  1  F   2  DA   I   10  .  ?        2     ?  
 43  1  1  F   3  DA   I   11  .  ?        ?     ?  
 44  1  1  F   4  DT   I   12  .  ?        2     ?  
 45  1  1  F   5  DA   I   13  .  ?        ?     2  
 46  1  1  F   6  DT   I   14  .  ?        3     1  
 47  1  1  F   7  DT   I   15  .  ?        ?     1  
 48  1  1  F   8  DT   I   16  .  ?        2     1  
 49  1  1  G   1  DA   D    1  .  ?        ?     ?  
 50  1  1  G   2  DA   D    2  .  ?        ?     ?  
 51  1  1  G   3  DA   D    3  .  ?        1     ?  
 52  1  1  G   4  DT   D    4  .  ?        ?     1  
 53  1  1  G   5  DA   D    5  .  ?        ?     2  
 54  1  1  G   6  DT   D    6  .  ?        ?     ?  
 55  1  1  G   7  DT   D    7  .  ?        2     2  
 56  1  1  G   8  DT   D    8  .  ?        ?     ?  
 57  1  1  H   1  DA   J    9  .  ?        ?     1  
 58  1  1  H   2  DA   J   10  .  ?        ?     1  
 59  1  1  H   3  DA   J   11  .  ?        ?     1  
 60  1  1  H   4  DT   J   12  .  ?        1     1  
 61  1  1  H   5  DA   J   13  .  ?        ?     2  
 62  1  1  H   6  DT   J   14  .  ?        ?     ?  
 63  1  1  H   7  DT   J   15  .  ?        ?     ?  
 64  1  1  H   8  DT   J   16  .  ?        1     1  
 65  1  1  I   1  DA   E    1  .  ?        ?     ?  
 66  1  1  I   2  DA   E    2  .  ?        1     ?  
 67  1  1  I   3  DA   E    3  .  ?        2     ?  
 68  1  1  I   4  DT   E    4  .  ?        1     1  
 69  1  1  I   5  DA   E    5  .  ?        ?     ?  
 70  1  1  I   6  DT   E    6  .  ?        ?     ?  
 71  1  1  I   7  DT   E    7  .  ?        ?     ?  
 72  1  1  I   8  DT   E    8  .  ?        2     ?  
 73  1  1  J   1  DA   K    9  .  ?        ?     ?  
 74  1  1  J   2  DA   K   10  .  ?        ?     ?  
 75  1  1  J   3  DA   K   11  .  ?        1     ?  
 76  1  1  J   4  DT   K   12  .  ?        1     1  
 77  1  1  J   5  DA   K   13  .  ?        ?     2  
 78  1  1  J   6  DT   K   14  .  ?        ?     ?  
 79  1  1  J   7  DT   K   15  .  ?        ?     ?  
 80  1  1  J   8  DT   K   16  .  ?        ?     1  
 81  1  1  K   1  DA   F    1  .  ?        ?     ?  
 82  1  1  K   2  DA   F    2  .  ?        ?     ?  
 83  1  1  K   3  DA   F    3  .  ?        ?     ?  
 84  1  1  K   4  DT   F    4  .  ?        1     1  
 85  1  1  K   5  DA   F    5  .  ?        ?     2  
 86  1  1  K   6  DT   F    6  .  ?        ?     1  
 87  1  1  K   7  DT   F    7  .  ?        ?     ?  
 88  1  1  K   8  DT   F    8  .  ?        1     ?  
 89  1  2  L   .  MN   D  106  .  ?        ?     ?  
 90  1  2  M   .  MN   E  101  .  ?        ?     ?  
 91  1  2  N   .  MN   E  102  .  ?        ?     ?  
 92  1  2  O   .  MN   E  103  .  ?        ?     ?  
 93  1  2  P   .  MN   E  104  .  ?        ?     ?  
 94  1  2  Q   .  MN   E  105  .  ?        ?     ?  
 95  1  3  R   .  CAC  E  201  .  ?        ?     ?  
 96  1  3  S   .  CAC  E  202  .  ?        ?     ?  
 97  1  3  T   .  CAC  E  203  .  ?        ?     ?  
 98  1  3  U   .  CAC  E  204  .  ?        ?     ?  
 99  1  3  V   .  CAC  E  205  .  ?        ?     ?  
100  1  3  W   .  CAC  E  206  .  ?        ?     ?  
101  1  4  X   .  HOH  A    9  .  ?        ?     ?  
102  1  4  Y   .  HOH  G   17  .  ?        ?     ?  
103  1  4  Z   .  HOH  B   10  .  ?        ?     ?  
104  1  4  AA  .  HOH  H   17  .  ?        ?     ?  
105  1  4  BA  .  HOH  D   12  .  ?        ?     ?  
106  1  4  BA  .  HOH  D   13  .  ?        ?     ?  
107  1  4  CA  .  HOH  J   17  .  ?        ?     ?  
108  1  4  DA  .  HOH  E  207  .  ?        ?     ?  
109  1  4  DA  .  HOH  E  208  .  ?        ?     ?  
110  1  4  DA  .  HOH  E  209  .  ?        ?     ?  
111  1  4  DA  .  HOH  E  210  .  ?        ?     ?  
112  1  4  DA  .  HOH  E  211  .  ?        ?     ?  
113  1  4  DA  .  HOH  E  212  .  ?        ?     ?  
114  1  4  EA  .  HOH  K   17  .  ?        ?     ?  
115  1  4  EA  .  HOH  K   18  .  ?        ?     ?  
116  1  4  EA  .  HOH  K   19  .  ?        ?     ?  
#
loop_
_pdbx_vrpt_model_instance_geometry.ordinal
_pdbx_vrpt_model_instance_geometry.instance_id
_pdbx_vrpt_model_instance_geometry.num_H_reduce
_pdbx_vrpt_model_instance_geometry.num_bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.num_angles_RMSZ
_pdbx_vrpt_model_instance_geometry.angles_RMSZ
_pdbx_vrpt_model_instance_geometry.program_for_bond_angle_geometry
 1    1    12  21  0.62  33  1.87  molprobity  
 2    2    11  24  0.63  37  1.12  molprobity  
 3    3    11  24  0.63  37  0.77  molprobity  
 4    4    12  22  0.80  34  1.85  molprobity  
 5    5    11  24  0.55  37  1.52  molprobity  
 6    6    12  22  0.98  34  1.83  molprobity  
 7    7    12  22  0.84  34  1.61  molprobity  
 8    8    13  21  0.96  30  1.58  molprobity  
 9    9    12  21  0.64  33  1.28  molprobity  
10   10    11  24  0.48  37  1.10  molprobity  
11   11    11  24  0.68  37  1.27  molprobity  
12   12    12  22  0.66  34  1.76  molprobity  
13   13    11  24  0.76  37  1.25  molprobity  
14   14    12  22  0.71  34  1.46  molprobity  
15   15    12  22  0.72  34  1.96  molprobity  
16   16    13  21  0.97  30  1.52  molprobity  
17   17    12  21  0.58  33  1.31  molprobity  
18   18    11  24  0.64  37  1.15  molprobity  
19   19    11  24  0.87  37  1.23  molprobity  
20   20    12  22  0.55  34  1.98  molprobity  
21   21    11  24  0.86  37  1.15  molprobity  
22   22    12  22  1.01  34  1.83  molprobity  
23   23    12  22  0.73  34  1.54  molprobity  
24   24    13  21  0.81  30  1.61  molprobity  
25   25    12  21  0.58  33  1.09  molprobity  
26   26    11  24  0.68  37  1.27  molprobity  
27   27    11  24  0.75  37  1.06  molprobity  
28   28    12  22  0.57  34  2.00  molprobity  
29   29    11  24  0.69  37  2.35  molprobity  
30   30    12  22  0.74  34  2.02  molprobity  
31   31    12  22  0.85  34  1.96  molprobity  
32   32    13  21  0.72  30  2.96  molprobity  
33   33    12  21  0.74  33  1.26  molprobity  
34   34    11  24  0.67  37  1.23  molprobity  
35   35    11  24  0.78  37  1.33  molprobity  
36   36    12  22  0.59  34  1.62  molprobity  
37   37    11  24  0.67  37  1.04  molprobity  
38   38    12  22  0.58  34  1.69  molprobity  
39   39    12  22  0.75  34  1.61  molprobity  
40   40    13  21  1.02  30  1.81  molprobity  
41   41    12  21  0.75  33  1.17  molprobity  
42   42    11  24  0.94  37  1.95  molprobity  
43   43    11  24  0.91  37  1.87  molprobity  
44   44    12  22  0.62  34  1.92  molprobity  
45   45    11  24  0.85  37  1.17  molprobity  
46   46    12  22  0.76  34  2.45  molprobity  
47   47    12  22  0.88  34  1.40  molprobity  
48   48    13  21  0.65  30  2.53  molprobity  
49   49    12  21  0.56  33  1.41  molprobity  
50   50    11  24  0.70  37  1.01  molprobity  
51   51    11  24  0.81  37  2.04  molprobity  
52   52    12  22  0.69  34  1.85  molprobity  
53   53    11  24  1.00  37  1.63  molprobity  
54   54    12  22  0.74  34  1.81  molprobity  
55   55    12  22  0.66  34  1.87  molprobity  
56   56    13  21  0.56  30  1.53  molprobity  
57   57    12  21  0.78  33  1.60  molprobity  
58   58    11  24  0.52  37  1.44  molprobity  
59   59    11  24  0.69  37  1.06  molprobity  
60   60    12  22  0.79  34  1.81  molprobity  
61   61    11  24  0.68  37  1.32  molprobity  
62   62    12  22  0.81  34  1.75  molprobity  
63   63    12  22  1.13  34  1.56  molprobity  
64   64    13  21  0.76  30  1.92  molprobity  
65   65    12  21  0.92  33  1.59  molprobity  
66   66    11  24  1.00  37  1.89  molprobity  
67   67    11  24  0.63  37  2.10  molprobity  
68   68    12  22  0.88  34  2.33  molprobity  
69   69    11  24  0.76  37  1.21  molprobity  
70   70    12  22  0.69  34  1.35  molprobity  
71   71    12  22  0.52  34  1.95  molprobity  
72   72    13  21  0.65  30  2.29  molprobity  
73   73    12  21  0.57  33  1.06  molprobity  
74   74    11  24  0.62  37  1.22  molprobity  
75   75    11  24  0.72  37  1.40  molprobity  
76   76    12  22  0.78  34  2.03  molprobity  
77   77    11  24  0.85  37  1.53  molprobity  
78   78    12  22  1.02  34  1.72  molprobity  
79   79    12  22  0.76  34  1.62  molprobity  
80   80    13  21  0.91  30  1.32  molprobity  
81   81    12  21  0.59  33  1.41  molprobity  
82   82    11  24  0.53  37  1.19  molprobity  
83   83    11  24  0.51  37  1.03  molprobity  
84   84    12  22  0.77  34  1.66  molprobity  
85   85    11  24  0.59  37  0.95  molprobity  
86   86    12  22  0.63  34  1.28  molprobity  
87   87    12  22  0.64  34  1.64  molprobity  
88   88    13  21  0.61  30  1.81  molprobity  
89   95     ?   0     ?   0     ?  mogul       
90   96     ?   0     ?   0     ?  mogul       
91   97     ?   0     ?   0     ?  mogul       
92   98     ?   0     ?   0     ?  mogul       
93   99     ?   0     ?   0     ?  mogul       
94  100     ?   0     ?   0     ?  mogul       
#
loop_
_pdbx_vrpt_instance_clashes.ordinal
_pdbx_vrpt_instance_clashes.instance_id
_pdbx_vrpt_instance_clashes.label_atom_id
_pdbx_vrpt_instance_clashes.cid
_pdbx_vrpt_instance_clashes.clashmag
_pdbx_vrpt_instance_clashes.dist
 1   1  "H2''"   1  0.41  2.21  
 2   2  OP2      1  0.41  2.21  
 3   5  C2       2  0.44  3.06  
 4   9  "HO5'"   3  0.46  1.63  
 5   9  H8       3  0.46  1.63  
 6  10  C6       4  0.40  3.08  
 7  11  C6       4  0.40  3.08  
 8  12  "H2''"   5  0.44  2.17  
 9  13  "H1'"    6  0.45  1.97  
10  13  C2       2  0.44  3.06  
11  13  OP2      5  0.44  2.17  
12  14  "H5'"    6  0.45  1.97  
13  21  C2       7  0.56  2.93  
14  22  "H1'"    8  0.42  2.02  
15  23  "H5'"    8  0.42  2.02  
16  29  C2       7  0.56  2.93  
17  35  C2       9  0.51  2.99  
18  36  C2       9  0.51  2.99  
19  37  C2      10  0.44  3.05  
20  38  "H2''"  11  0.40  2.21  
21  39  "O5'"   11  0.40  2.21  
22  41  "H1'"   12  0.48  1.94  
23  45  C2      13  0.49  3.00  
24  45  C2      10  0.44  3.05  
25  46  C2      13  0.49  3.00  
26  47  "H2''"  14  0.53  2.08  
27  48  "O4'"   14  0.53  2.08  
28  52  "H2''"  15  0.52  2.10  
29  53  "O5'"   15  0.52  2.10  
30  53  C2      16  0.43  3.07  
31  55  H3      17  0.51  1.59  
32  55  O2      18  0.45  2.69  
33  57  "H5'"   19  0.62  1.99  
34  58  H61     17  0.51  1.59  
35  59  C2      18  0.45  2.69  
36  60  "H1'"   20  0.51  1.93  
37  61  "H5'"   20  0.51  1.93  
38  61  C2      16  0.43  3.07  
39  64  "H2'"   12  0.48  1.94  
40  68  H3      21  0.53  1.57  
41  76  "H2''"  22  0.45  2.50  
42  77  H2      21  0.53  1.57  
43  77  C8      22  0.45  2.50  
44  80  OP2     19  0.62  1.99  
45  84  "H2''"  23  0.41  2.21  
46  85  C2      24  0.47  3.02  
47  85  OP2     23  0.41  2.21  
48  86  C2      24  0.47  3.02  
#
loop_
_pdbx_vrpt_instance_intra_angle_outliers.ordinal
_pdbx_vrpt_instance_intra_angle_outliers.instance_id
_pdbx_vrpt_instance_intra_angle_outliers.atom_1
_pdbx_vrpt_instance_intra_angle_outliers.atom_2
_pdbx_vrpt_instance_intra_angle_outliers.atom_3
_pdbx_vrpt_instance_intra_angle_outliers.obs
_pdbx_vrpt_instance_intra_angle_outliers.mean
_pdbx_vrpt_instance_intra_angle_outliers.stdev
_pdbx_vrpt_instance_intra_angle_outliers.Z
_pdbx_vrpt_instance_intra_angle_outliers.link
 1   1  "O4'"  "C4'"  "C3'"  101.452  106.000  0.600   -7.58  ?     
 2   4  P      "O3'"  "C3'"  127.515  119.700  1.200    6.51  Y     
 3   5  P      "O3'"  "C3'"  127.181  119.700  1.200    6.23  Y     
 4   7  "O4'"  "C1'"  N1     111.813  108.000  0.700    5.45  ?     
 5  12  P      "O3'"  "C3'"  126.609  119.700  1.200    5.76  Y     
 6  17  P      "O3'"  "C3'"  125.803  119.700  1.200    5.09  Y     
 7  20  "C1'"  "O4'"  "C4'"  103.931  110.100  1.000   -6.17  ?     
 8  20  "O4'"  "C1'"  N1     111.988  108.000  0.700    5.70  ?     
 9  24  N3     C4     O4     122.969  119.900  0.600    5.12  ?     
10  28  "O4'"  "C1'"  N1     112.624  108.000  0.700    6.61  ?     
11  29  "C1'"  "O4'"  "C4'"  100.104  110.100  1.000  -10.00  ?     
12  30  "O4'"  "C1'"  N1     111.938  108.000  0.700    5.62  ?     
13  31  "O4'"  "C1'"  N1     113.014  108.000  0.700    7.16  ?     
14  32  "C1'"  "O4'"  "C4'"  101.743  110.100  1.000   -8.36  ?     
15  32  "O4'"  "C1'"  N1     113.530  108.000  0.700    7.90  ?     
16  32  "O4'"  "C4'"  "C3'"  101.628  104.500  0.400   -7.18  ?     
17  40  N3     C4     O4     123.112  119.900  0.600    5.35  ?     
18  42  "C1'"  "O4'"  "C4'"  104.056  110.100  1.000   -6.04  ?     
19  42  "C3'"  "C2'"  "C1'"   96.282  102.500  1.200   -5.18  ?     
20  44  C5     C4     O4     121.333  124.900  0.700   -5.10  ?     
21  44  N3     C4     O4     123.135  119.900  0.600    5.39  ?     
22  46  "C1'"  "O4'"  "C4'"  102.877  110.100  1.000   -7.22  ?     
23  46  "O4'"  "C1'"  "C2'"  101.395  105.900  0.800   -5.63  ?     
24  46  "O4'"  "C1'"  N1     113.113  108.000  0.700    7.30  ?     
25  48  "C1'"  "O4'"  "C4'"  101.936  110.100  1.000   -8.16  ?     
26  48  "O4'"  "C4'"  "C3'"  101.341  106.000  0.600   -7.76  ?     
27  51  "O4'"  "C1'"  N9     102.994  108.000  0.700   -7.15  ?     
28  55  C4     C5     C7     122.109  119.000  0.600    5.18  ?     
29  55  C6     C5     C7     119.213  122.900  0.600   -6.15  ?     
30  60  "O4'"  "C1'"  N1     111.979  108.000  0.700    5.68  ?     
31  64  "O4'"  "C4'"  "C3'"  102.085  104.500  0.400   -6.04  ?     
32  66  "O4'"  "C1'"  N9     112.384  108.000  0.700    6.26  ?     
33  67  P      "O3'"  "C3'"  126.040  119.700  1.200    5.28  Y     
34  67  "O4'"  "C1'"  N9     101.327  108.000  0.700   -9.53  ?     
35  68  "O4'"  "C1'"  N1     114.591  108.000  0.700    9.41  ?     
36  72  "C1'"  "O4'"  "C4'"  102.652  110.100  1.000   -7.45  ?     
37  72  "O4'"  "C4'"  "C3'"  102.139  104.500  0.400   -5.90  ?     
38  75  "O4'"  "C1'"  N9     103.727  108.000  0.700   -6.10  ?     
39  76  "O4'"  "C1'"  N1     112.203  108.000  0.700    6.00  ?     
40  84  C4     C5     C7     122.464  119.000  0.600    5.77  ?     
41  88  "O4'"  "C1'"  N1     112.205  108.000  0.700    6.01  ?     
#
loop_
_pdbx_vrpt_software.ordinal
_pdbx_vrpt_software.name
_pdbx_vrpt_software.version
_pdbx_vrpt_software.success_y_or_n
1  molprobity   4.02b-467                                                             Y  
2  mogul        "1.8.5 (274361), CSD as541be (2020)"                                  Y  
3  eds          2.36                                                                  Y  
4  dcc          '"2.27  (2023-04-10)"'                                                Y  
5  xtriage      1.13                                                                  Y  
6  percentiles  "20191225.v01 (using entries in the PDB archive December 25th 2019)"  N  
##
