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Dimeric horse myoglobin |
This entry was created with PDB-REDO version 8.04. |
From original header | |||||||
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Spacegroup | P 21 21 21 | a: 57.340 Å | b: 62.523 Å | c: 83.354 Å | α: 90.00° | β: 90.00° | γ: 90.00° |
Resolution | 1.05 Å | Reflections | 140519 | Test set | 6946 (4.9%) | ||
R | N/A | R-free | N/A | ||||
According to PDB-REDO | |||||||
Resolution | 1.05 Å | Reflections | 140519 | Test set | 6945 (4.9%) New test set, PDB-REDO compensated for this | ||
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 | 0.1226 | 0.1380 |
R-free | 0.1407 R-free was considered biased, the estimated unbiased R-free was used | 0.1587 |
Bond length RMS Z-score | 1.110 | 0.467 |
Bond angle RMS Z-score | 1.307 | 0.667 |
Model quality | ||
Ramachandran plot normality | 0.886 93 | 1.533 97 |
Rotamer normality | -0.563 85 | 0.421 96 |
Coarse packing | 2.995 100 | 2.951 100 |
Fine packing | 0.165 85 | 0.330 88 |
Bump severity | 0.003 82 | 0.002 87 |
Hydrogen bond satisfaction | 0.939 93 | 0.949 97 |
WHAT_CHECK | Report | Report |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 7 |
Side chains flipped | 0 |
Waters removed | 100 |
Peptides flipped | 0 |
Chiralities fixed | 0 |
Residues fitting density better | 8 |
Residues fitting density worse | 39 |