This entry is not up to date with the most recent version of PDB-REDO.
Please log in
to request an update.
| Crystal structure of ScGas2 in complex with compound 8 |
| This entry was created with PDB-REDO version 7.32. |
| From PDB header | |||||||
|---|---|---|---|---|---|---|---|
| Spacegroup | P 21 21 21 | a: 71.569 Å | b: 139.440 Å | c: 161.654 Å | α: 90.00° | β: 90.00° | γ: 90.00° |
| Resolution | 2.15 Å | Reflections | 88533 | Test set | 2669 (3.0%) | ||
| R | 0.2110 | R-free | 0.2480 | ||||
| According to PDB-REDO | |||||||
| Resolution | 2.15 Å | Reflections | 88533 | Test set | 2669 (3.0%) | Twin | false |
| PDB-REDO files | |||||||
| Re-refined and rebuilt structure | Re-refined (only) structure |
All files
(compressed) |
|||||
| Links | |||||||
| PDBe | RCSB PDB | 3D bionotes | Proteopedia | ||||
| PDB | PDB-REDO | |
|---|---|---|
| Crystallographic refinement | ||
| R | 0.2116 | 0.1905 |
| R-free | 0.2459 | 0.2199 |
| Bond length RMS Z-score | 0.436 | 0.638 |
| Bond angle RMS Z-score | 0.684 | 0.793 |
| Model quality | ||
| Ramachandran plot normality | -1.746 35 | -1.426 42 |
| Rotamer normality | -1.740 63 | -1.534 67 |
| Coarse packing | -0.529 35 | -0.438 39 |
| Fine packing | -1.762 21 | -1.718 23 |
| Bump severity | 0.012 53 | 0.012 53 |
| Hydrogen bond satisfaction | 0.885 33 | 0.882 30 |
| WHAT_CHECK | Report | Report |
Kleywegt-like plot |
| Description | Count |
|---|---|
| Rotamers changed | 7 |
| Side chains flipped | 0 |
| Waters removed | 22 |
| Peptides flipped | 0 |
| Chiralities fixed | 0 |
| Residues fitting density better | 13 |
| Residues fitting density worse | 1 |