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Complex structure of SARS-CoV 3C-like protease with PMA |
This entry was created with PDB-REDO version 7.00. |
From original header | |||||||
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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) |
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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 |