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SPERM WHALE MYOGLOBIN UNDER XENON PRESSURE 30 Bar |
This entry was created with PDB-REDO version 8.04. |
From original header | |||||||
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Spacegroup | P 1 21 1 | a: 35.370 Å | b: 30.717 Å | c: 63.583 Å | α: 90.00° | β: 104.48° | γ: 90.00° |
Resolution | 1.60 Å | Reflections | 17350 | Test set | 889 (5.1%) | ||
R | 0.1853 | R-free | 0.2016 | ||||
According to PDB-REDO | |||||||
Resolution | 1.60 Å | Reflections | 17350 | Test set | 889 (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 | 0.1816 | 0.1598 |
R-free | 0.1943 | 0.1755 |
Bond length RMS Z-score | 1.314 | 0.787 |
Bond angle RMS Z-score | 1.118 | 0.829 |
Model quality | ||
Ramachandran plot normality | 0.406 88 | -0.321 72 |
Rotamer normality | -2.493 49 | -1.212 73 |
Coarse packing | 2.345 99 | 2.220 99 |
Fine packing | 0.649 92 | 0.762 93 |
Bump severity | 0.004 78 | 0.020 39 |
Hydrogen bond satisfaction | 0.945 95 | 0.933 89 |
WHAT_CHECK | Report | Report |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 3 |
Side chains flipped | 0 |
Waters removed | 11 |
Peptides flipped | 0 |
Chiralities fixed | 0 |
Residues fitting density better | 8 |
Residues fitting density worse | 0 |