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| Crystal structure of SARS coronavirus main peptidase at pH 6.0 in the space group P21 |
| This entry was created with PDB-REDO version 8.04. |
| From original header | |||||||
|---|---|---|---|---|---|---|---|
| Spacegroup | P 1 21 1 | a: 52.389 Å | b: 96.191 Å | c: 67.911 Å | α: 90.00° | β: 102.91° | γ: 90.00° |
| Resolution | 1.82 Å | Reflections | 56644 | Test set | 2883 (5.1%) | ||
| R | 0.1699 | R-free | 0.2169 | ||||
| According to PDB-REDO | |||||||
| Resolution | 1.82 Å | Reflections | 56644 | Test set | 2883 (5.1%) | ||
| Twin | false | Radiation damage | N/A | ||||
| PDB-REDO files | |||||||
| Re-refined and rebuilt structure | Re-refined (only) structure |
All files
(compressed) |
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| Links | |||||||
| PDBe | RCSB PDB | 3D bionotes | Proteopedia | ||||
| Original | PDB-REDO | |
|---|---|---|
| Crystallographic refinement | ||
| R | 0.1965 | 0.1638 |
| R-free | 0.2307 | 0.1941 |
| Bond length RMS Z-score | 1.291 | 0.325 |
| Bond angle RMS Z-score | 1.019 | 0.557 |
| Model quality | ||
| Ramachandran plot normality | -0.771 62 | -0.400 72 |
| Rotamer normality | -1.556 60 | 0.333 93 |
| Coarse packing | N/A N/A | N/A N/A |
| Fine packing | N/A N/A | N/A N/A |
| Bump severity | 0.000 95 | 0.000 95 |
| Hydrogen bond satisfaction | N/A N/A | N/A N/A |
Kleywegt-like plot |
| Description | Count |
|---|---|
| Rotamers changed | 15 |
| Side chains flipped | 0 |
| Waters removed | 54 |
| Peptides flipped | 0 |
| Chiralities fixed | 0 |
| Residues fitting density better | 28 |
| Residues fitting density worse | 0 |