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PDB-REDO results for job
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| Photorelaxed horse heart MYOGLOBIN CO complex |
| This entry was created with PDB-REDO version 8.04 using the deposited PDB model version 1.4 |
| From original header | |||||||
|---|---|---|---|---|---|---|---|
| Spacegroup | P 1 21 1 | a: 62.800 Å | b: 28.800 Å | c: 35.200 Å | α: 90.00° | β: 106.20° | γ: 90.00° |
| Resolution | 1.40 Å | Reflections | 23665 | Test set | 1502 (6.3%) | ||
| R | 0.1970 | R-free | 0.2430 | ||||
| According to PDB-REDO | |||||||
| Resolution | 1.40 Å | Reflections | 23665 | Test set | 1502 (6.3%) | ||
| 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 | 0.1891 | 0.1530 |
| R-free | 0.2287 | 0.1828 |
| Bond length RMS Z-score | 0.774 | 0.819 |
| Bond angle RMS Z-score | 0.760 | 0.831 |
| Model quality | ||
| Ramachandran plot normality | -0.728 61 | 0.434 88 |
| Rotamer normality | -2.603 47 | -0.937 78 |
| Coarse packing | 2.665 100 | 2.604 100 |
| Fine packing | -0.035 82 | 0.012 83 |
| Bump severity | 0.004 78 | 0.006 70 |
| Hydrogen bond satisfaction | 0.946 96 | 0.949 97 |
| WHAT_CHECK | Report | Report |
Kleywegt-like plot |
| Description | Count |
|---|---|
| Rotamers changed | 6 |
| Side chains flipped | 0 |
| Waters removed | 8 |
| Peptides flipped | 0 |
| Chiralities fixed | 0 |
| Residues fitting density better | 13 |
| Residues fitting density worse | 0 |
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