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Ferric Horse Heart Myoglobin; H64V/V67R mutant, Nitrite Modified |
This entry was created with PDB-REDO version 8.01. |
From original header | |||||||
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Spacegroup | P 21 21 2 | a: 29.841 Å | b: 118.053 Å | c: 57.363 Å | α: 90.00° | β: 90.00° | γ: 90.00° |
Resolution | 2.00 Å | Reflections | 13450 | Test set | 667 (5.0%) | ||
R | 0.2018 | R-free | 0.2579 | ||||
According to PDB-REDO | |||||||
Resolution | 2.00 Å | Reflections | 13450 | Test set | 667 (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 | 0.2010 | 0.1901 |
R-free | 0.2518 | 0.2342 |
Bond length RMS Z-score | 1.121 | 0.645 |
Bond angle RMS Z-score | 1.054 | 0.909 |
Model quality | ||
Ramachandran plot normality | -4.284 8 | -2.017 29 |
Rotamer normality | -4.321 22 | -2.827 43 |
Coarse packing | 2.219 99 | 2.363 99 |
Fine packing | -0.133 80 | -0.132 80 |
Bump severity | 0.031 28 | 0.010 58 |
Hydrogen bond satisfaction | 0.923 80 | 0.950 97 |
WHAT_CHECK | Report | Report |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 5 |
Side chains flipped | 0 |
Waters removed | 0 |
Peptides flipped | 0 |
Chiralities fixed | 0 |
Residues fitting density better | 0 |
Residues fitting density worse | 0 |