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Crystal Structure of Human Myoglobin Mutant K45R |
This entry was created with PDB-REDO version 7.00. |
From original header | |||||||
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Spacegroup | P 32 2 1 | a: 86.200 Å | b: 86.200 Å | c: 35.660 Å | α: 90.00° | β: 90.00° | γ: 120.00° |
Resolution | 1.65 Å | Reflections | 18727 | Test set | 968 (5.2%) | ||
R | 0.1750 | R-free | 0.1980 | ||||
According to PDB-REDO | |||||||
Resolution | 1.61 Å | Reflections | 18727 | Test set | 968 (5.2%) | ||
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 | 0.1700 | 0.1457 |
R-free | 0.1910 | 0.1717 |
Bond length RMS Z-score | 0.370 | 0.645 |
Bond angle RMS Z-score | 0.595 | 0.789 |
Model quality | ||
Ramachandran plot normality | 0.265 83 | 0.782 92 |
Rotamer normality | -0.796 69 | -0.128 84 |
Coarse packing | 0.765 N/A | 1.228 N/A |
Fine packing | 0.770 94 | 1.325 97 |
Bump severity | 0.009 81 | 0.012 75 |
Hydrogen bond satisfaction | 0.946 97 | 0.945 97 |
WHAT_CHECK | Report | Report |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 0 |
Side chains flipped | 4 |
Waters removed | 12 |
Peptides flipped | 0 |
Chiralities fixed | 0 |
Residues fitting density better | 48 |
Residues fitting density worse | 0 |