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| Crystal structure of SARS-CoV 3C-like protease with B4Z |
| This entry was created with PDB-REDO version 8.04 using the deposited PDB model version 1.2 |
| From original header | |||||||
|---|---|---|---|---|---|---|---|
| Spacegroup | P 1 21 1 | a: 52.322 Å | b: 97.103 Å | c: 67.405 Å | α: 90.00° | β: 103.17° | γ: 90.00° |
| Resolution | 2.20 Å | Reflections | 33339 | Test set | 2000 (6.0%) | ||
| R | 0.1817 | R-free | 0.2354 | ||||
| According to PDB-REDO | |||||||
| Resolution | 2.20 Å | Reflections | 33339 | Test set | 2000 (6.0%) | ||
| 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 | 0.1837 | 0.1725 |
| R-free | 0.2380 | 0.2127 |
| Bond length RMS Z-score | 0.680 | 0.451 |
| Bond angle RMS Z-score | 0.702 | 0.629 |
| Model quality | ||
| Ramachandran plot normality | -1.983 30 | -0.669 63 |
| Rotamer normality | -1.434 69 | -0.500 86 |
| Coarse packing | N/A N/A | N/A N/A |
| Fine packing | N/A N/A | N/A N/A |
| Bump severity | 0.000 96 | 0.000 96 |
| Hydrogen bond satisfaction | N/A N/A | N/A N/A |
Kleywegt-like plot |
| Description | Count |
|---|---|
| Rotamers changed | 17 |
| Side chains flipped | 0 |
| Waters removed | 20 |
| Peptides flipped | 0 |
| Chiralities fixed | 0 |
| Residues fitting density better | 0 |
| Residues fitting density worse | 0 |