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| Structure Of Sars Cov Main Proteinase At 1.9 A (Ph6.5) |
| This entry was created with PDB-REDO version 8.04 using the deposited PDB model version 1.3 |
| 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 | 0.2260 | R-free | 0.2640 | ||||
| According to PDB-REDO | |||||||
| Resolution | 1.90 Å | Reflections | 20976 | Test set | 1078 (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 | 0.2263 | 0.1970 |
| R-free | 0.2623 | 0.2414 |
| Bond length RMS Z-score | 0.776 | 0.373 |
| Bond angle RMS Z-score | 0.983 | 0.705 |
| Model quality | ||
| Ramachandran plot normality | -2.289 26 | -1.024 55 |
| Rotamer normality | -2.631 38 | -1.957 52 |
| 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 | 8 |
| Side chains flipped | 5 |
| Waters removed | 48 |
| Peptides flipped | 0 |
| Chiralities fixed | 0 |
| Residues fitting density better | 11 |
| Residues fitting density worse | 0 |