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Nitrite Bound Chlorin Substituted Myoglobin- Method 1 |
This entry was created with PDB-REDO version 8.04. |
From original header | |||||||
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Spacegroup | P 1 21 1 | a: 34.432 Å | b: 30.519 Å | c: 63.579 Å | α: 90.00° | β: 105.23° | γ: 90.00° |
Resolution | 1.65 Å | Reflections | 15382 | Test set | 787 (5.1%) | ||
R | 0.1918 | R-free | 0.2176 | ||||
According to PDB-REDO | |||||||
Resolution | 1.65 Å | Reflections | 15382 | Test set | 787 (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 | 0.1856 | 0.1800 |
R-free | 0.2189 | 0.2127 |
Bond length RMS Z-score | 1.885 | 0.353 |
Bond angle RMS Z-score | 1.343 | 0.824 |
Model quality | ||
Ramachandran plot normality | -1.197 48 | -0.139 77 |
Rotamer normality | -2.139 55 | -1.376 70 |
Coarse packing | 2.683 100 | 2.719 100 |
Fine packing | 0.124 85 | -0.039 82 |
Bump severity | 0.050 19 | 0.018 42 |
Hydrogen bond satisfaction | 0.960 99 | 0.957 98 |
WHAT_CHECK | Report | Report |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 4 |
Side chains flipped | 0 |
Waters removed | 11 |
Peptides flipped | 0 |
Chiralities fixed | 0 |
Residues fitting density better | 0 |
Residues fitting density worse | 0 |