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| The Ni-bound dimeric structure of K78H/G80A/H82A myoglobin |
| This entry was created with PDB-REDO version 8.04. |
| From original header | |||||||
|---|---|---|---|---|---|---|---|
| Spacegroup | P 21 21 21 | a: 56.819 Å | b: 63.276 Å | c: 83.267 Å | α: 90.00° | β: 90.00° | γ: 90.00° |
| Resolution | 1.91 Å | Reflections | 23867 | Test set | 1191 (5.0%) | ||
| R | 0.2089 | R-free | 0.2623 | ||||
| According to PDB-REDO | |||||||
| Resolution | 1.91 Å | Reflections | 23867 | Test set | 1191 (5.0%) | ||
| 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 | 0.2098 | 0.2099 |
| R-free | 0.2650 | 0.2564 |
| Bond length RMS Z-score | 2.105 | 0.480 |
| Bond angle RMS Z-score | 1.043 | 0.578 |
| Model quality | ||
| Ramachandran plot normality | -1.257 46 | 0.580 90 |
| Rotamer normality | -2.441 50 | -1.977 58 |
| Coarse packing | 2.972 100 | 2.995 100 |
| Fine packing | 0.497 90 | 0.820 94 |
| Bump severity | 0.019 41 | 0.011 56 |
| Hydrogen bond satisfaction | 0.945 95 | 0.932 88 |
| WHAT_CHECK | Report | Report |
Kleywegt-like plot |
| Description | Count |
|---|---|
| Rotamers changed | 8 |
| Side chains flipped | 0 |
| Waters removed | 5 |
| Peptides flipped | 0 |
| Chiralities fixed | 0 |
| Residues fitting density better | 1 |
| Residues fitting density worse | 1 |