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 coronavirus main peptidase (with an additional Ala at the N-terminus of each protomer) in the space group P43212 |
This entry was created with PDB-REDO version 8.04. |
From original header | |||||||
---|---|---|---|---|---|---|---|
Spacegroup | P 43 21 2 | a: 70.294 Å | b: 70.294 Å | c: 102.866 Å | α: 90.00° | β: 90.00° | γ: 90.00° |
Resolution | 2.00 Å | Reflections | 17964 | Test set | 913 (5.1%) | ||
R | 0.1749 | R-free | 0.2409 | ||||
According to PDB-REDO | |||||||
Resolution | 2.00 Å | Reflections | 17964 | Test set | 913 (5.1%) | ||
Twin | false | Radiation damage | N/A | ||||
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 | 0.1794 | 0.1777 |
R-free | 0.2403 | 0.2276 |
Bond length RMS Z-score | 1.298 | 0.437 |
Bond angle RMS Z-score | 0.995 | 0.617 |
Model quality | ||
Ramachandran plot normality | -1.348 46 | -1.148 51 |
Rotamer normality | -2.065 49 | -1.201 68 |
Coarse packing | N/A N/A | N/A N/A |
Fine packing | N/A N/A | N/A N/A |
Bump severity | 0.000 95 | 0.000 95 |
Hydrogen bond satisfaction | N/A N/A | N/A N/A |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 13 |
Side chains flipped | 0 |
Waters removed | 6 |
Peptides flipped | 0 |
Chiralities fixed | 0 |
Residues fitting density better | 0 |
Residues fitting density worse | 0 |