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Horse Heart Myoglobin, Nitrite Adduct, Crystal Soak |
This entry was created with PDB-REDO version 8.01. |
From original header | |||||||
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Spacegroup | P 1 21 1 | a: 35.240 Å | b: 28.607 Å | c: 62.938 Å | α: 90.00° | β: 105.75° | γ: 90.00° |
Resolution | 1.20 Å | Reflections | 37088 | Test set | 1900 (5.1%) | ||
R | 0.1682 | R-free | 0.2111 | ||||
According to PDB-REDO | |||||||
Resolution | 1.20 Å | Reflections | 37088 | Test set | 1900 (5.1%) | ||
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 | 0.1605 | 0.1473 |
R-free | 0.1984 | 0.1853 |
Bond length RMS Z-score | 0.340 | 0.539 |
Bond angle RMS Z-score | 0.659 | 0.833 |
Model quality | ||
Ramachandran plot normality | 0.724 91 | 0.926 93 |
Rotamer normality | -1.014 77 | -0.226 89 |
Coarse packing | 2.618 100 | 2.681 100 |
Fine packing | -0.420 73 | -0.129 80 |
Bump severity | 0.006 70 | 0.013 51 |
Hydrogen bond satisfaction | 0.950 97 | 0.942 94 |
WHAT_CHECK | Report | Report |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 3 |
Side chains flipped | 0 |
Waters removed | 30 |
Peptides flipped | 0 |
Chiralities fixed | 0 |
Residues fitting density better | 0 |
Residues fitting density worse | 1 |