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Nitrite Bound Chlorin Substituted Myoglobin- Method 2 |
This entry was created with PDB-REDO version 8.04. |
From original header | |||||||
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Spacegroup | P 1 21 1 | a: 34.285 Å | b: 30.360 Å | c: 64.059 Å | α: 90.00° | β: 104.94° | γ: 90.00° |
Resolution | 1.65 Å | Reflections | 15180 | Test set | 795 (5.2%) | ||
R | 0.1840 | R-free | 0.2320 | ||||
According to PDB-REDO | |||||||
Resolution | 1.65 Å | Reflections | 15180 | Test set | 795 (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 | 0.1760 | 0.1685 |
R-free | 0.2133 | 0.2140 |
Bond length RMS Z-score | 1.547 | 0.436 |
Bond angle RMS Z-score | 1.395 | 0.881 |
Model quality | ||
Ramachandran plot normality | -0.534 67 | 1.191 95 |
Rotamer normality | -2.447 49 | -1.522 67 |
Coarse packing | 2.812 100 | 2.808 100 |
Fine packing | 0.026 83 | 0.248 87 |
Bump severity | 0.029 30 | 0.019 41 |
Hydrogen bond satisfaction | 0.962 99 | 0.957 98 |
WHAT_CHECK | Report | Report |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 2 |
Side chains flipped | 0 |
Waters removed | 4 |
Peptides flipped | 0 |
Chiralities fixed | 0 |
Residues fitting density better | 0 |
Residues fitting density worse | 0 |