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| Structure of PQS Response Protein PqsE in Complex N-(3-(1H-pyrazol-5- yl)phenyl)-1H-indazole-7-carboxamide |
| This entry was created with PDB-REDO version 8.04 using the deposited PDB model version 1.1 |
| From original header | |||||
|---|---|---|---|---|---|
| Spacegroup | P 32 2 1 | a: 60.712Å b: 60.712Å c: 146.205Å | α: 90.00° β: 90.00° γ: 120.00° | ||
| Resolution | 1.99 Å | Reflections | 22189 | Test set | 1118 (5.0%) |
| R | 0.1648 | R-free | 0.2140 | ||
| According to PDB-REDO | |||||
| Resolution | 1.99 Å | Reflections | 22189 | Test set | 1118 (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 | Proteopedia | |||
| Original | PDB-REDO | |
|---|---|---|
| Crystallographic refinement | ||
| R | 0.1701 | 0.1688 |
| R-free | 0.2160 | 0.2036 |
| Bond length RMS Z-score | 0.874 | 0.456 |
| Bond angle RMS Z-score | 0.790 | 0.562 |
| Model quality | ||
| Ramachandran plot normality | -0.649 63 | -0.633 64 |
| Rotamer normality | -1.370 70 | -0.519 85 |
| Coarse packing | 1.489 98 | 1.367 97 |
| Fine packing | -1.325 39 | -1.419 35 |
| Bump severity | 0.006 70 | 0.004 78 |
| Hydrogen bond satisfaction | 0.921 78 | 0.908 61 |
| WHAT_CHECK | Report | Report |
Kleywegt-like plot |
| Description | Count |
|---|---|
| Rotamers changed | 1 |
| Side chains built | 1 |
| Waters removed | 12 |
| Peptides flipped | 0 |
| Chiralities fixed | 0 |
| Residues fitting density better | 0 |
| Residues fitting density worse | 0 |