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SPERM WHALE MYOGLOBIN UNDER 30 BAR NITROUS Oxide |
This entry was created with PDB-REDO version 8.04. |
From original header | |||||||
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Spacegroup | P 1 21 1 | a: 35.449 Å | b: 30.545 Å | c: 63.634 Å | α: 90.00° | β: 104.57° | γ: 90.00° |
Resolution | 1.55 Å | Reflections | 18597 | Test set | 960 (5.2%) | ||
R | 0.1895 | R-free | 0.2245 | ||||
According to PDB-REDO | |||||||
Resolution | 1.55 Å | Reflections | 18597 | Test set | 960 (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 | 0.1840 | 0.1305 |
R-free | 0.2154 | 0.1837 |
Bond length RMS Z-score | 1.257 | 0.764 |
Bond angle RMS Z-score | 1.116 | 0.745 |
Model quality | ||
Ramachandran plot normality | -0.249 74 | 0.670 91 |
Rotamer normality | -2.243 53 | -0.852 80 |
Coarse packing | 2.335 99 | 2.291 99 |
Fine packing | 0.706 93 | 0.937 94 |
Bump severity | 0.003 82 | 0.009 61 |
Hydrogen bond satisfaction | 0.949 97 | 0.936 91 |
WHAT_CHECK | Report | Report |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 4 |
Side chains flipped | 0 |
Waters removed | 14 |
Peptides flipped | 0 |
Chiralities fixed | 0 |
Residues fitting density better | 47 |
Residues fitting density worse | 0 |