This entry is not up to date with the most recent version of PDB-REDO.
Please log in
to request an update.
Human cathepsin-C in complex with dipeptidyl cyclopropyl nitrile inhibitor 2 |
This entry was created with PDB-REDO version 7.32. |
From original header | |||||||
---|---|---|---|---|---|---|---|
Spacegroup | I 2 2 2 | a: 86.975 Å | b: 88.329 Å | c: 115.183 Å | α: 90.00° | β: 90.00° | γ: 90.00° |
Resolution | 2.00 Å | Reflections | 31014 | Test set | 1542 (5.0%) | ||
R | 0.1520 | R-free | 0.1980 | ||||
According to PDB-REDO | |||||||
Resolution | 1.90 Å | Reflections | 31014 | Test set | 1542 (5.0%) | ||
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 | 0.2433 | 0.1549 |
R-free | 0.2846 | 0.2014 |
Bond length RMS Z-score | 0.802 | 0.860 |
Bond angle RMS Z-score | 1.094 | 0.903 |
Model quality | ||
Ramachandran plot normality | -1.816 33 | -1.947 31 |
Rotamer normality | -1.452 69 | -1.525 67 |
Coarse packing | -0.645 29 | -0.597 32 |
Fine packing | -1.483 32 | -1.438 34 |
Bump severity | 0.415 2 | 0.407 2 |
Hydrogen bond satisfaction | 0.906 58 | 0.896 45 |
WHAT_CHECK | Report | Report |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 7 |
Side chains flipped | 0 |
Waters removed | 14 |
Peptides flipped | 0 |
Chiralities fixed | 0 |
Residues fitting density better | 0 |
Residues fitting density worse | 0 |