SPERM WHALE MYOGLOBIN N-BUTYL ISOCYANIDE AT PH 9.0 |
This entry was created with PDB-REDO version 8.08. |
From original header | |||||||
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Spacegroup | P 1 21 1 | a: 64.720 Å | b: 30.061 Å | c: 35.191 Å | α: 90.00° | β: 105.76° | γ: 90.00° |
Resolution | 2.02 Å | Reflections | 6906 | Test set | 709 (10.3%) | ||
R | 0.1740 | R-free | 0.2680 | ||||
According to PDB-REDO | |||||||
Resolution | 2.02 Å | Reflections | 6906 | Test set | 708 (10.3%) New test set, PDB-REDO compensated for this | ||
Twin | false | Radiation damage | 63 | ||||
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 | |
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Crystallographic refinement | ||
R | 0.1730 | 0.1594 |
R-free | 0.2087 R-free was considered biased, the estimated unbiased R-free was used | 0.2306 |
Bond length RMS Z-score | 0.869 | 0.346 |
Bond angle RMS Z-score | 0.776 | 0.498 |
Model quality | ||
Ramachandran plot normality | -3.651 11 | -1.747 36 |
Rotamer normality | -3.411 26 | -2.010 50 |
Coarse packing | 2.182 98 | 2.134 98 |
Fine packing | -0.597 68 | -0.250 78 |
Bump severity | 0.009 59 | 0.006 68 |
Hydrogen bond satisfaction | 0.912 66 | 0.911 65 |
WHAT_CHECK | Report | Report |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 7 |
Side chains flipped | 0 |
Waters removed | 5 |
Peptides flipped | 0 |
Chiralities fixed | 0 |
Residues fitting density better | 0 |
Residues fitting density worse | 0 |