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| The Ni-bound dimeric structure of K78H/G80A/H82A myoglobin |
| This entry was created with PDB-REDO version 8.21 using the deposited PDB model version 1.3 |
| From original header | |||||
|---|---|---|---|---|---|
| Spacegroup | P 21 21 21 | a: 56.819Å b: 63.276Å c: 83.267Å | 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 | 40 | ||
| PDB-REDO files | |||||
| Re-refined and rebuilt structure | Re-refined (only) structure |
All files
(compressed) |
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| Links | |||||
| PDBe | RCSB PDB | Proteopedia | |||
| Original | PDB-REDO | |
|---|---|---|
| Crystallographic refinement | ||
| R | 0.2104 | 0.2128 |
| R-free | 0.2665 | 0.2607 |
| Bond length RMS Z-score | 1.559 | 0.334 |
| Bond angle RMS Z-score | 1.058 | 0.496 |
| Model quality | ||
| Ramachandran plot normality | -1.257 48 | -0.389 73 |
| Rotamer normality | -2.441 42 | -2.182 47 |
| Coarse packing | 2.972 99 | 2.904 99 |
| Fine packing | 1.273 96 | 1.277 96 |
| MolProbity Clashscore | 3.620 68 | 3.020 75 |
| Hydrogen bond satisfaction | 0.954 98 | 0.951 97 |
| WHAT_CHECK | Report | Report |
Kleywegt-like plot |
| Description | Count |
|---|---|
| Rotamers changed | N/A |
| Side chains built | 0 |
| Waters removed | N/A |
| Peptides flipped | 0 |
| Chiralities fixed | 0 |
| Residues fitting density better | 0 |
| Residues fitting density worse | 0 |