| Crystal Structure Of SARS-CoV Mpro in Complex with an Inhibitor N1 |
| This entry was created with PDB-REDO version 8.13 using the deposited PDB model version 1.3 |
| From original header | |||||||
|---|---|---|---|---|---|---|---|
| Spacegroup | P 1 21 1 | a: 51.683 Å | b: 95.345 Å | c: 67.530 Å | α: 90.00° | β: 103.57° | γ: 90.00° |
| Resolution | 2.00 Å | Reflections | 41728 | Test set | 2093 (5.0%) | ||
| R | 0.2010 | R-free | 0.2390 | ||||
| According to PDB-REDO | |||||||
| Resolution | 2.01 Å | Reflections | 41728 | Test set | 2093 (5.0%) | ||
| Twin | false | Radiation damage | 82 | ||||
| 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 | 0.1968 | 0.1752 |
| R-free | 0.2325 | 0.2199 |
| Bond length RMS Z-score | 0.811 | 0.293 |
| Bond angle RMS Z-score | 0.848 | 0.534 |
| Model quality | ||
| Ramachandran plot normality | -1.711 37 | -0.986 56 |
| Rotamer normality | -1.860 54 | 0.087 91 |
| Coarse packing | 0.242 60 | 0.355 65 |
| Fine packing | -0.910 57 | -0.499 71 |
| Bump severity | 0.010 56 | 0.001 90 |
| Hydrogen bond satisfaction | 0.876 26 | 0.876 26 |
| WHAT_CHECK | Report | Report |
Kleywegt-like plot |
| Description | Count |
|---|---|
| Rotamers changed | 15 |
| Side chains flipped | 0 |
| Waters removed | 17 |
| Peptides flipped | 0 |
| Chiralities fixed | 0 |
| Residues fitting density better | 10 |
| Residues fitting density worse | 0 |