| complex structure of SARS-CoV 3C-like protease with JMF1586 |
| This entry was created with PDB-REDO version 8.10 using the deposited PDB model version 1.2 |
| From original header | |||||||
|---|---|---|---|---|---|---|---|
| Spacegroup | P 1 21 1 | a: 51.920 Å | b: 96.000 Å | c: 67.590 Å | α: 90.00° | β: 103.62° | γ: 90.00° |
| Resolution | 2.10 Å | Reflections | 34358 | Test set | 1725 (5.0%) | ||
| R | 0.1960 | R-free | 0.2590 | ||||
| According to PDB-REDO | |||||||
| Resolution | 2.09 Å | Reflections | 34358 | Test set | 1725 (5.0%) | ||
| Twin | false | Radiation damage | 71 | ||||
| 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 | 0.1963 | 0.1794 |
| R-free | 0.2538 | 0.2311 |
| Bond length RMS Z-score | 0.872 | 0.486 |
| Bond angle RMS Z-score | 1.106 | 0.656 |
| Model quality | ||
| Ramachandran plot normality | -2.867 18 | -1.131 52 |
| Rotamer normality | -2.516 41 | -1.409 63 |
| Coarse packing | -0.018 48 | 0.170 57 |
| Fine packing | -1.628 26 | -1.211 44 |
| Bump severity | 0.050 18 | 0.040 21 |
| Hydrogen bond satisfaction | 0.882 30 | 0.889 37 |
| WHAT_CHECK | Report | Report |
Kleywegt-like plot |
| Description | Count |
|---|---|
| Rotamers changed | 23 |
| Side chains flipped | 0 |
| Waters removed | 52 |
| Peptides flipped | 0 |
| Chiralities fixed | 0 |
| Residues fitting density better | 0 |
| Residues fitting density worse | 0 |