| Complex structure of SARS-CoV 3C-like protease with PMA |
| This entry was created with PDB-REDO version 8.10 using the deposited PDB model version 1.2 |
| From original header | |||||||
|---|---|---|---|---|---|---|---|
| Spacegroup | C 1 2 1 | a: 108.280 Å | b: 81.930 Å | c: 53.450 Å | α: 90.00° | β: 104.99° | γ: 90.00° |
| Resolution | 1.86 Å | Reflections | 36163 | Test set | 1811 (5.0%) | ||
| R | 0.1930 | R-free | 0.2320 | ||||
| According to PDB-REDO | |||||||
| Resolution | 1.86 Å | Reflections | 36163 | Test set | 1811 (5.0%) | ||
| Twin | false | Radiation damage | 67 | ||||
| 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 | 0.1919 | 0.1534 |
| R-free | 0.2289 | 0.1962 |
| Bond length RMS Z-score | 0.572 | 0.418 |
| Bond angle RMS Z-score | 0.727 | 0.619 |
| Model quality | ||
| Ramachandran plot normality | -1.730 37 | -0.667 65 |
| Rotamer normality | -1.026 71 | -0.091 88 |
| Coarse packing | -0.206 39 | -0.075 45 |
| Fine packing | -2.245 9 | -1.579 28 |
| Bump severity | 0.031 27 | 0.020 37 |
| Hydrogen bond satisfaction | 0.888 36 | 0.890 38 |
| WHAT_CHECK | Report | Report |
Kleywegt-like plot |
| Description | Count |
|---|---|
| Rotamers changed | 9 |
| Side chains flipped | 0 |
| Waters removed | 117 |
| Peptides flipped | 0 |
| Chiralities fixed | 0 |
| Residues fitting density better | 35 |
| Residues fitting density worse | 0 |