This entry is not up to date with the most recent version of PDB-REDO.
Please log in
to request an update.
Crystal Structure Of SARS_CoV Mpro in Complex with an Inhibitor N9 |
This entry was created with PDB-REDO version 8.08. |
From original header | |||||||
---|---|---|---|---|---|---|---|
Spacegroup | P 1 21 1 | a: 52.110 Å | b: 94.989 Å | c: 67.604 Å | α: 90.00° | β: 103.09° | γ: 90.00° |
Resolution | 1.85 Å | Reflections | 51540 | Test set | 2600 (5.0%) | ||
R | 0.2150 | R-free | 0.2450 | ||||
According to PDB-REDO | |||||||
Resolution | 1.85 Å | Reflections | 51540 | Test set | 2600 (5.0%) | ||
Twin | false | Radiation damage | 84 | ||||
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 | 0.2115 | 0.1718 |
R-free | 0.2416 | 0.2032 |
Bond length RMS Z-score | 0.938 | 0.522 |
Bond angle RMS Z-score | 0.938 | 0.679 |
Model quality | ||
Ramachandran plot normality | -1.472 43 | -0.486 70 |
Rotamer normality | -2.129 48 | -0.024 89 |
Coarse packing | 0.064 52 | 0.362 65 |
Fine packing | -1.620 27 | -1.132 48 |
Bump severity | 0.011 54 | 0.003 81 |
Hydrogen bond satisfaction | 0.877 26 | 0.884 32 |
WHAT_CHECK | Report | Report |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 16 |
Side chains flipped | 0 |
Waters removed | 28 |
Peptides flipped | 0 |
Chiralities fixed | 0 |
Residues fitting density better | 54 |
Residues fitting density worse | 0 |