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Cyanomet Sperm Whale Myoglobin at 1.4A resolution |
This entry was created with PDB-REDO version 8.04. |
From original header | |||||||
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Spacegroup | P 1 21 1 | a: 34.409 Å | b: 29.786 Å | c: 63.633 Å | α: 90.00° | β: 104.93° | γ: 90.00° |
Resolution | 1.40 Å | Reflections | 24184 | Test set | 1229 (5.1%) | ||
R | 0.1800 | R-free | 0.2340 | ||||
According to PDB-REDO | |||||||
Resolution | 1.38 Å | Reflections | 24184 | Test set | 1229 (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 | 0.2829 | 0.2025 |
R-free | 0.3040 | 0.2417 |
Bond length RMS Z-score | 1.901 | 0.583 |
Bond angle RMS Z-score | 1.317 | 0.826 |
Model quality | ||
Ramachandran plot normality | -1.560 41 | -0.804 61 |
Rotamer normality | -2.265 45 | -1.215 68 |
Coarse packing | N/A N/A | N/A N/A |
Fine packing | N/A N/A | N/A N/A |
Bump severity | 0.000 95 | 0.000 95 |
Hydrogen bond satisfaction | N/A N/A | N/A N/A |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 4 |
Side chains flipped | 0 |
Waters removed | 80 |
Peptides flipped | 0 |
Chiralities fixed | 0 |
Residues fitting density better | 55 |
Residues fitting density worse | 0 |