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| Crystal structure of feruloyl esterase wtsFae1B in complex with xylobiose |
| This entry was created with PDB-REDO version 8.04 using the deposited PDB model version 1.1 |
| From original 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 | 0.1167 | R-free | 0.1377 | ||||
| According to PDB-REDO | |||||||
| Resolution | 1.19 Å | Reflections | 272743 | Test set | 2864 (1.1%) | ||
| 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 | 3D bionotes | Proteopedia | ||||
| Original | PDB-REDO | |
|---|---|---|
| Crystallographic refinement | ||
| R | 0.1265 | 0.1315 |
| R-free | 0.1483 | 0.1524 |
| Bond length RMS Z-score | 0.570 | 0.643 |
| Bond angle RMS Z-score | 0.749 | 0.739 |
| Model quality | ||
| Ramachandran plot normality | 0.431 89 | 0.415 89 |
| Rotamer normality | 1.362 99 | 1.610 99 |
| Coarse packing | N/A N/A | N/A N/A |
| Fine packing | N/A N/A | N/A N/A |
| Bump severity | 0.000 95 | 0.000 95 |
| Hydrogen bond satisfaction | N/A N/A | N/A N/A |
Kleywegt-like plot |
| Description | Count |
|---|---|
| Rotamers changed | 17 |
| Side chains flipped | 1 |
| Waters removed | 164 |
| Peptides flipped | 0 |
| Chiralities fixed | 0 |
| Residues fitting density better | 9 |
| Residues fitting density worse | 8 |