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| Structure Of Sars Cov Main Proteinase At 1.9 A (Ph6.5) |
| This entry was created with PDB-REDO version 7.00. |
| From original header | |||||||
|---|---|---|---|---|---|---|---|
| Spacegroup | P 21 21 2 | a: 107.742 Å | b: 44.882 Å | c: 54.231 Å | α: 90.00° | β: 90.00° | γ: 90.00° |
| Resolution | 1.90 Å | Reflections | 20976 | Test set | 1078 (5.1%) | ||
| R | 0.2256 | R-free | 0.2643 | ||||
| According to PDB-REDO | |||||||
| Resolution | 1.90 Å | Reflections | 20976 | Test set | 1078 (5.1%) | Twin | false |
| 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 | 0.2257 | 0.1883 |
| R-free | 0.2618 | 0.2414 |
| Bond length RMS Z-score | 0.283 | 0.742 |
| Bond angle RMS Z-score | 0.623 | 0.884 |
| Model quality | ||
| Ramachandran plot normality | -1.623 29 | -0.542 59 |
| Rotamer normality | -3.389 17 | -3.150 20 |
| Coarse packing | -0.647 N/A | -0.609 N/A |
| Fine packing | -1.666 20 | -1.070 48 |
| Bump severity | 0.017 64 | 0.001 98 |
| Hydrogen bond satisfaction | 0.896 46 | 0.904 54 |
| WHAT_CHECK | Report | Report |
Kleywegt-like plot |
| Description | Count |
|---|---|
| Rotamers changed | 9 |
| Side chains flipped | 5 |
| Waters removed | 46 |
| Peptides flipped | 0 |
| Chiralities fixed | 0 |
| Residues fitting density better | 92 |
| Residues fitting density worse | 0 |