This entry is not up to date with the most recent version of PDB-REDO.
Please log in
to request an update.
| Complex structure of SARS-CoV 3C-like protease with PMA |
| This entry was created with PDB-REDO version 7.00. |
| 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 |
| PDB-REDO files | |||||||
| Re-refined and rebuilt structure | Re-refined (only) structure |
All files
(compressed) |
|||||
| Links | |||||||
| PDBe | RCSB PDB | 3D bionotes | Proteopedia | ||||
| Original | PDB-REDO | |
|---|---|---|
| Crystallographic refinement | ||
| R | 0.1917 | 0.1614 |
| R-free | 0.2301 | 0.2015 |
| Bond length RMS Z-score | 0.267 | 0.514 |
| Bond angle RMS Z-score | 0.615 | 0.736 |
| Model quality | ||
| Ramachandran plot normality | -0.969 45 | -0.061 74 |
| Rotamer normality | -1.264 57 | -1.142 61 |
| Coarse packing | -0.828 N/A | -0.733 N/A |
| Fine packing | -2.142 8 | -1.604 23 |
| Bump severity | 0.031 43 | 0.022 56 |
| Hydrogen bond satisfaction | 0.874 29 | 0.872 28 |
| WHAT_CHECK | Report | Report |
Kleywegt-like plot |
| Description | Count |
|---|---|
| Rotamers changed | 8 |
| Side chains flipped | 0 |
| Waters removed | 119 |
| Peptides flipped | 0 |
| Chiralities fixed | 0 |
| Residues fitting density better | 68 |
| Residues fitting density worse | 1 |