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Structure of the E502A variant of sacteLam55A from Streptomyces sp. SirexAA-E in complex with laminaritetraose |
This entry was created with PDB-REDO version 8.04. |
From original header | |||||||
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Spacegroup | P 1 21 1 | a: 51.276 Å | b: 100.210 Å | c: 54.223 Å | α: 90.00° | β: 99.46° | γ: 90.00° |
Resolution | 1.90 Å | Reflections | 39595 | Test set | 1985 (5.0%) | ||
R | 0.1330 | R-free | 0.1690 | ||||
According to PDB-REDO | |||||||
Resolution | 1.90 Å | Reflections | 39595 | Test set | 1985 (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 | 3D bionotes | Proteopedia |
Original | PDB-REDO | |
---|---|---|
Crystallographic refinement | ||
R | 0.1384 | 0.1305 |
R-free | 0.1639 | 0.1548 |
Bond length RMS Z-score | 0.827 | 0.357 |
Bond angle RMS Z-score | 0.856 | 0.660 |
Model quality | ||
Ramachandran plot normality | -1.376 45 | -1.468 43 |
Rotamer normality | 0.104 91 | 0.300 93 |
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 | 15 |
Side chains flipped | 0 |
Waters removed | 33 |
Peptides flipped | 0 |
Chiralities fixed | 0 |
Residues fitting density better | 1 |
Residues fitting density worse | 0 |