| REDUCED HYBRID CLUSTER PROTEIN (HCP) FROM DESULFOVIBRIO VULGARIS HILDENBOROUGH STRUCTURE AT 1.55A RESOLUTION USING SYNCHROTRON RADIATION. |
| This entry was created with PDB-REDO version 8.22 using the deposited PDB model version 1.5 |
| From original header | |||||
|---|---|---|---|---|---|
| Spacegroup | P 21 21 21 | a: 63.053Å b: 67.464Å c: 134.955Å | α: 90.00° β: 90.00° γ: 90.00° | ||
| Resolution | 1.55 Å | Reflections | 81860 | Test set | 4074 (5.0%) |
| R | 0.1310 | R-free | 0.1530 | ||
| According to PDB-REDO | |||||
| Resolution | 1.53 Å | Reflections | 81860 | Test set | 4074 (5.0%) |
| Twin | false | Radiation damage | 92 | ||
| PDB-REDO files | |||||
| Re-refined and rebuilt structure | Re-refined (only) structure |
All files
(compressed) |
|||
| Links | |||||
| PDBe | RCSB PDB | Proteopedia | |||
| Original | PDB-REDO | |
|---|---|---|
| Crystallographic refinement | ||
| R | 0.3934 | 0.1305 |
| R-free |
0.4534
R-free was considered biased, the
estimated unbiased R-free was used
|
0.1530 |
| Bond length RMS Z-score | 0.907 | 0.880 |
| Bond angle RMS Z-score | 0.875 | 0.879 |
| Model quality | ||
| Ramachandran plot normality | 0.702 92 | 0.369 88 |
| Rotamer normality | 0.819 97 | 0.897 97 |
| Coarse packing | 1.531 94 | 1.736 95 |
| Fine packing | 0.725 93 | 0.824 94 |
| MolProbity Clashscore | 2.430 82 | 2.320 83 |
| Hydrogen bond satisfaction | 0.895 43 | 0.889 37 |
| WHAT_CHECK | Report | Report |
Kleywegt-like plot |
| Description | Count |
|---|---|
| Rotamers changed | N/A |
| Side chains built | 0 |
| Waters removed | N/A |
| Peptides flipped | 0 |
| Chiralities fixed | 0 |
| Residues fitting density better | 671 |
| Residues fitting density worse | 0 |