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Ferric horse heart myoglobin, nitrite adduct |
This entry was created with PDB-REDO version 8.01. |
From original header | |||||||
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Spacegroup | P 1 21 1 | a: 35.266 Å | b: 28.532 Å | c: 62.932 Å | α: 90.00° | β: 105.43° | γ: 90.00° |
Resolution | 1.60 Å | Reflections | 15922 | Test set | 799 (5.0%) | ||
R | 0.1929 | R-free | 0.2475 | ||||
According to PDB-REDO | |||||||
Resolution | 1.60 Å | Reflections | 15922 | Test set | 799 (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 | 0.1845 | 0.1843 |
R-free | 0.2341 | 0.2293 |
Bond length RMS Z-score | 0.316 | 0.434 |
Bond angle RMS Z-score | 0.625 | 0.727 |
Model quality | ||
Ramachandran plot normality | -0.787 59 | -0.037 79 |
Rotamer normality | -1.770 62 | -1.014 77 |
Coarse packing | 2.756 100 | 2.650 100 |
Fine packing | 0.144 85 | 0.326 88 |
Bump severity | 0.010 58 | 0.015 47 |
Hydrogen bond satisfaction | 0.943 94 | 0.937 92 |
WHAT_CHECK | Report | Report |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 3 |
Side chains flipped | 0 |
Waters removed | 1 |
Peptides flipped | 0 |
Chiralities fixed | 0 |
Residues fitting density better | 0 |
Residues fitting density worse | 0 |