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| CRYSTAL STRUCTURE OF FERULOYL ESTERASE WTSFAE1B IN COMPLEX WITH XYLOBIOSE |
| This entry was created with PDB-REDO version 7.38. |
| From PDB header | |||||||
|---|---|---|---|---|---|---|---|
| Spacegroup | P 21 21 21 | a: 65.580 Å | b: 99.350 Å | c: 132.940 Å | α: 90.00° | β: 90.00° | γ: 90.00° |
| Resolution | 1.19 Å | Reflections | 272743 | Test set | 2864 (1.1%) | ||
| R | 0.1170 | R-free | 0.1380 | ||||
| According to PDB-REDO | |||||||
| Resolution | 1.19 Å | Reflections | 272743 | Test set | 2864 (1.1%) | Twin | false |
| 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 | ||||
| PDB | PDB-REDO | |
|---|---|---|
| Crystallographic refinement | ||
| R | 0.1268 | 0.1246 |
| R-free | 0.1487 | 0.1470 |
| Bond length RMS Z-score | 0.282 | 0.544 |
| Bond angle RMS Z-score | 0.673 | 0.787 |
| Model quality | ||
| Ramachandran plot normality | 0.289 86 | 0.430 88 |
| Rotamer normality | 1.452 99 | 1.648 99 |
| Coarse packing | 0.288 75 | 0.268 74 |
| Fine packing | 1.219 44 | 1.141 47 |
| Bump severity | 0.009 61 | 0.009 61 |
| Hydrogen bond satisfaction | 0.894 43 | 0.887 35 |
| WHAT_CHECK | Report | Report |
Kleywegt-like plot |
| Description | Count |
|---|---|
| Rotamers changed | 9 |
| Side chains flipped | 1 |
| Waters removed | 155 |
| Peptides flipped | 0 |
| Chiralities fixed | 0 |
| Residues fitting density better | 32 |
| Residues fitting density worse | 2 |