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CRYSTAL STRUCTURE OF THE COMPLEX OF LACTOPEROXIDASE WITH NITRIC OXIDE AT 2.50A RESOLUTION |
This entry was created with PDB-REDO version 7.38. |
From original header | |||||||
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Spacegroup | P 1 21 1 | a: 81.731 Å | b: 93.173 Å | c: 82.319 Å | α: 90.00° | β: 91.20° | γ: 90.00° |
Resolution | 2.50 Å | Reflections | 42373 | Test set | 2105 (5.0%) | ||
R | 0.2190 | R-free | 0.2770 | ||||
According to PDB-REDO | |||||||
Resolution | 2.50 Å | Reflections | 42373 | Test set | 2105 (5.0%) | ||
Twin | false | Radiation damage | N/A | ||||
PDB-REDO files | |||||||
Re-refined and rebuilt structure | Re-refined (only) structure |
All files
(compressed) |
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Links | |||||||
PDBe | RCSB PDB | 3D bionotes | Proteopedia |
Original | PDB-REDO | |
---|---|---|
Crystallographic refinement | ||
R | 0.2192 | 0.2231 |
R-free | 0.2778 | 0.2581 |
Bond length RMS Z-score | 0.681 | 0.417 |
Bond angle RMS Z-score | 1.006 | 0.702 |
Model quality | ||
Ramachandran plot normality | -4.039 9 | -3.114 15 |
Rotamer normality | -3.031 39 | -2.323 52 |
Coarse packing | -2.223 2 | -2.103 2 |
Fine packing | -2.482 6 | -2.383 7 |
Bump severity | 0.439 2 | 0.374 2 |
Hydrogen bond satisfaction | 0.844 12 | 0.843 12 |
WHAT_CHECK | Report | Report |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 4 |
Side chains flipped | 0 |
Waters removed | 39 |
Peptides flipped | 1 |
Chiralities fixed | 0 |
Residues fitting density better | 3 |
Residues fitting density worse | 4 |