Complex of Wild Type Myoglobin with Phenol in its Proximal Cavity |
This entry was created with PDB-REDO version 8.08. |
From original header | |||||||
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Spacegroup | P 6 | a: 90.309 Å | b: 90.309 Å | c: 45.204 Å | α: 90.00° | β: 90.00° | γ: 120.00° |
Resolution | 1.21 Å | Reflections | 63737 | Test set | 3226 (5.1%) | ||
R | 0.1438 | R-free | 0.1704 | ||||
According to PDB-REDO | |||||||
Resolution | 1.21 Å | Reflections | 63737 | Test set | 3226 (5.1%) | ||
Twin | false | Radiation damage | 40 | ||||
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 | 0.1387 | 0.1366 |
R-free | 0.1595 | 0.1563 |
Bond length RMS Z-score | 1.930 | 1.247 |
Bond angle RMS Z-score | 1.540 | 0.826 |
Model quality | ||
Ramachandran plot normality | 0.726 93 | 1.754 98 |
Rotamer normality | 0.391 94 | 0.806 97 |
Coarse packing | 2.602 99 | 2.631 99 |
Fine packing | 0.278 87 | 0.392 89 |
Bump severity | 0.105 9 | 0.075 12 |
Hydrogen bond satisfaction | 0.950 97 | 0.946 96 |
WHAT_CHECK | Report | Report |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 7 |
Side chains flipped | 1 |
Waters removed | 28 |
Peptides flipped | 0 |
Chiralities fixed | 0 |
Residues fitting density better | 2 |
Residues fitting density worse | 4 |