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| Crystal structure of the mouse RIP3 kinase domain in complexed with GSK'843 |
| This entry was created with PDB-REDO version 8.13 using the deposited PDB model version 1.1 |
| From original header | |||||||
|---|---|---|---|---|---|---|---|
| Spacegroup | C 1 2 1 | a: 149.790 Å | b: 49.101 Å | c: 103.434 Å | α: 90.00° | β: 131.38° | γ: 90.00° |
| Resolution | 1.82 Å | Reflections | 47985 | Test set | 2313 (4.8%) | ||
| R | 0.1759 | R-free | 0.2115 | ||||
| According to PDB-REDO | |||||||
| Resolution | 1.82 Å | Reflections | 47985 | Test set | 2313 (4.8%) | ||
| Twin | false | Radiation damage | 69 | ||||
| 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 | 0.1787 | 0.1641 |
| R-free | 0.2088 | 0.1981 |
| Bond length RMS Z-score | 0.749 | 0.487 |
| Bond angle RMS Z-score | 0.959 | 0.686 |
| Model quality | ||
| Ramachandran plot normality | -0.710 64 | -0.163 78 |
| Rotamer normality | 1.458 99 | 0.340 93 |
| Coarse packing | 0.218 59 | 0.524 71 |
| Fine packing | -1.027 52 | -0.459 72 |
| Bump severity | 0.002 85 | 0.004 76 |
| Hydrogen bond satisfaction | 0.906 58 | 0.902 53 |
| WHAT_CHECK | Report | Report |
Kleywegt-like plot |
| Description | Count |
|---|---|
| Rotamers changed | 3 |
| Side chains built | 35 |
| Waters removed | 19 |
| Peptides flipped | 0 |
| Chiralities fixed | 0 |
| Residues fitting density better | 15 |
| Residues fitting density worse | 0 |