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Crystal structure of peroxymyoglobin generated by cryoradiolytic reduction of myoglobin compound III |
This entry was created with PDB-REDO version 8.04. |
From original header | |||||||
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Spacegroup | P 1 21 1 | a: 63.617 Å | b: 28.663 Å | c: 35.271 Å | α: 90.00° | β: 105.85° | γ: 90.00° |
Resolution | 1.30 Å | Reflections | 29767 | Test set | 1498 (5.0%) | ||
R | 0.1470 | R-free | 0.1750 | ||||
According to PDB-REDO | |||||||
Resolution | 1.30 Å | Reflections | 29767 | Test set | 1498 (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 | 0.1641 | 0.1554 |
R-free | 0.1898 | 0.1823 |
Bond length RMS Z-score | 1.235 | 0.725 |
Bond angle RMS Z-score | 0.720 | 0.798 |
Model quality | ||
Ramachandran plot normality | 0.509 89 | 0.657 91 |
Rotamer normality | -0.329 88 | -0.229 89 |
Coarse packing | N/A N/A | N/A N/A |
Fine packing | N/A N/A | N/A N/A |
Bump severity | 0.000 96 | 0.000 96 |
Hydrogen bond satisfaction | N/A N/A | N/A N/A |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 6 |
Side chains flipped | 0 |
Waters removed | 40 |
Peptides flipped | 0 |
Chiralities fixed | 0 |
Residues fitting density better | 15 |
Residues fitting density worse | 1 |