This entry is not up to date with the most recent version of PDB-REDO.
Please log in
to request an update.
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z2217052426 |
This entry was created with PDB-REDO version 7.34. |
From original header | |||||||
---|---|---|---|---|---|---|---|
Spacegroup | C 1 2 1 | a: 113.058 Å | b: 52.901 Å | c: 44.343 Å | α: 90.00° | β: 102.72° | γ: 90.00° |
Resolution | 1.77 Å | Reflections | 24643 | Test set | 1232 (5.0%) | ||
R | 0.1830 | R-free | 0.2420 | ||||
According to PDB-REDO | |||||||
Resolution | 1.77 Å | Reflections | 24643 | Test set | 1232 (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 | 0.1925 | 0.1934 |
R-free | 0.2479 | 0.2449 |
Bond length RMS Z-score | 0.664 | 0.420 |
Bond angle RMS Z-score | 1.021 | 0.686 |
Model quality | ||
Ramachandran plot normality | -1.820 33 | -1.604 38 |
Rotamer normality | -1.163 74 | -1.054 76 |
Coarse packing | -0.297 46 | -0.336 44 |
Fine packing | -1.427 35 | -1.323 39 |
Bump severity | 0.008 64 | 0.004 78 |
Hydrogen bond satisfaction | 0.869 21 | 0.904 56 |
WHAT_CHECK | Report | Report |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 10 |
Side chains flipped | 0 |
Waters removed | 80 |
Peptides flipped | 0 |
Chiralities fixed | 0 |
Residues fitting density better | 0 |
Residues fitting density worse | 0 |