Crystal structure of SARS-CoV 3C-like protease with C6Z |
This entry was created with PDB-REDO version 8.04. |
From original header | |||||||
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Spacegroup | P 1 21 1 | a: 52.096 Å | b: 96.435 Å | c: 67.694 Å | α: 90.00° | β: 103.48° | γ: 90.00° |
Resolution | 2.50 Å | Reflections | 22564 | Test set | 2000 (8.9%) | ||
R | 0.1881 | R-free | 0.2453 | ||||
According to PDB-REDO | |||||||
Resolution | 2.50 Å | Reflections | 22564 | Test set | 2000 (8.9%) | 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 | |
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Crystallographic refinement | ||
R | 0.1919 | 0.1849 |
R-free | 0.2473 | 0.2284 |
Bond length RMS Z-score | 0.655 | 0.427 |
Bond angle RMS Z-score | 0.712 | 0.614 |
Model quality | ||
Ramachandran plot normality | -3.405 13 | -1.483 40 |
Rotamer normality | -2.915 41 | -1.010 77 |
Coarse packing | 0.167 70 | 0.248 74 |
Fine packing | -1.390 36 | -1.135 47 |
Bump severity | 0.015 47 | 0.023 36 |
Hydrogen bond satisfaction | 0.892 40 | 0.885 33 |
WHAT_CHECK | Report | Report |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 14 |
Side chains flipped | 0 |
Waters removed | 6 |
Peptides flipped | 1 |
Chiralities fixed | 0 |
Residues fitting density better | 0 |
Residues fitting density worse | 0 |