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X-ray photogenerated ferrous 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: 35.327 Å | b: 28.691 Å | c: 62.911 Å | α: 90.00° | β: 105.64° | γ: 90.00° |
Resolution | 1.55 Å | Reflections | 17759 | Test set | 925 (5.2%) | ||
R | 0.1785 | R-free | 0.2118 | ||||
According to PDB-REDO | |||||||
Resolution | 1.55 Å | Reflections | 17759 | Test set | 925 (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 | 0.1683 | 0.1622 |
R-free | 0.1996 | 0.1876 |
Bond length RMS Z-score | 0.304 | 0.402 |
Bond angle RMS Z-score | 0.622 | 0.709 |
Model quality | ||
Ramachandran plot normality | -0.058 79 | 0.402 87 |
Rotamer normality | -1.116 75 | -0.552 85 |
Coarse packing | 2.615 100 | 2.509 100 |
Fine packing | -0.193 79 | -0.061 81 |
Bump severity | 0.005 74 | 0.008 64 |
Hydrogen bond satisfaction | 0.960 99 | 0.954 98 |
WHAT_CHECK | Report | Report |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 7 |
Side chains flipped | 0 |
Waters removed | 2 |
Peptides flipped | 0 |
Chiralities fixed | 0 |
Residues fitting density better | 1 |
Residues fitting density worse | 1 |