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 TDT |
| This entry was created with PDB-REDO version 7.00. |
| From original header | |||||||
|---|---|---|---|---|---|---|---|
| Spacegroup | C 1 2 1 | a: 108.511 Å | b: 81.548 Å | c: 53.334 Å | α: 90.00° | β: 105.13° | γ: 90.00° |
| Resolution | 1.78 Å | Reflections | 38304 | Test set | 1929 (5.0%) | ||
| R | 0.1910 | R-free | 0.2240 | ||||
| According to PDB-REDO | |||||||
| Resolution | 1.78 Å | Reflections | 38304 | Test set | 1929 (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 | 0.1871 | 0.1648 |
| R-free | 0.2127 | 0.1923 |
| Bond length RMS Z-score | 0.587 | 0.520 |
| Bond angle RMS Z-score | 0.801 | 0.739 |
| Model quality | ||
| Ramachandran plot normality | -0.984 45 | -0.184 70 |
| Rotamer normality | -1.520 51 | -1.016 64 |
| Coarse packing | -0.799 N/A | -0.684 N/A |
| Fine packing | -2.077 10 | -1.576 24 |
| Bump severity | 0.020 59 | 0.001 98 |
| Hydrogen bond satisfaction | 0.900 50 | 0.858 21 |
| WHAT_CHECK | Report | Report |
Kleywegt-like plot |
| Description | Count |
|---|---|
| Rotamers changed | 9 |
| Side chains flipped | 0 |
| Waters removed | 77 |
| Peptides flipped | 0 |
| Chiralities fixed | 0 |
| Residues fitting density better | 80 |
| Residues fitting density worse | 0 |