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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 | |||||||
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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 | |
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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 |