| Crystal structure of PIsnA complexed with an isonitrile product |
| This entry was created with PDB-REDO version 8.17 using the deposited PDB model version 1.0 |
| From original header | |||||||
|---|---|---|---|---|---|---|---|
| Spacegroup | P 41 21 2 | a: 133.334 Å | b: 133.334 Å | c: 109.631 Å | α: 90.00° | β: 90.00° | γ: 90.00° |
| Resolution | 3.21 Å | Reflections | 16716 | Test set | 1672 (10.0%) | ||
| R | 0.2564 | R-free | 0.3113 | ||||
| According to PDB-REDO | |||||||
| Resolution | 3.21 Å | Reflections | 16716 | Test set | 1672 (10.0%) | ||
| Twin | false | Radiation damage | 67 | ||||
| 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 | 0.2641 | 0.2380 |
| R-free | 0.3091 | 0.2889 |
| Bond length RMS Z-score | 0.835 | 0.407 |
| Bond angle RMS Z-score | 0.936 | 0.622 |
| Model quality | ||
| Ramachandran plot normality | -2.480 23 | -5.264 4 |
| Rotamer normality | -5.042 9 | -5.195 8 |
| Coarse packing | 1.315 91 | 0.709 77 |
| Fine packing | -1.010 53 | -0.527 70 |
| MolProbity Clashscore | 15.320 12 | 31.970 3 |
| Hydrogen bond satisfaction | 0.846 13 | 0.814 7 |
| WHAT_CHECK | Report | Report |
Kleywegt-like plot |
| Description | Count |
|---|---|
| Rotamers changed | 8 |
| Side chains built | 0 |
| Waters removed | 0 |
| Peptides flipped | 21 |
| Chiralities fixed | 0 |
| Residues fitting density better | 37 |
| Residues fitting density worse | 3 |