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 Z2856434856 |
This entry was created with PDB-REDO version 7.36. |
From original header | |||||||
---|---|---|---|---|---|---|---|
Spacegroup | C 1 2 1 | a: 113.646 Å | b: 53.228 Å | c: 44.405 Å | α: 90.00° | β: 102.99° | γ: 90.00° |
Resolution | 1.82 Å | Reflections | 23219 | Test set | 1163 (5.0%) | ||
R | 0.1830 | R-free | 0.2400 | ||||
According to PDB-REDO | |||||||
Resolution | 1.82 Å | Reflections | 23219 | Test set | 1163 (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 | 0.1881 | 0.1917 |
R-free | 0.2427 | 0.2351 |
Bond length RMS Z-score | 0.665 | 0.369 |
Bond angle RMS Z-score | 1.022 | 0.644 |
Model quality | ||
Ramachandran plot normality | -1.768 34 | -1.395 43 |
Rotamer normality | -1.651 65 | -0.452 86 |
Coarse packing | -0.376 42 | -0.335 44 |
Fine packing | -1.721 23 | -1.397 36 |
Bump severity | 0.011 56 | 0.006 70 |
Hydrogen bond satisfaction | 0.894 43 | 0.902 53 |
WHAT_CHECK | Report | Report |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 7 |
Side chains flipped | 0 |
Waters removed | 74 |
Peptides flipped | 0 |
Chiralities fixed | 0 |
Residues fitting density better | 0 |
Residues fitting density worse | 0 |