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The structure of GH101 E796Q mutant from Streptococcus pneumoniae TIGR4 in complex with PNP-T-antigen |
This entry was created with PDB-REDO version 7.32. |
From original header | |||||||
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Spacegroup | P 2 21 21 | a: 86.861 Å | b: 121.618 Å | c: 139.403 Å | α: 90.00° | β: 90.00° | γ: 90.00° |
Resolution | 1.75 Å | Reflections | 148344 | Test set | 7432 (5.0%) | ||
R | 0.1470 | R-free | 0.1740 | ||||
According to PDB-REDO | |||||||
Resolution | 1.75 Å | Reflections | 148344 | Test set | 7432 (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 | 0.1426 | 0.1318 |
R-free | 0.1654 | 0.1567 |
Bond length RMS Z-score | 0.570 | 0.360 |
Bond angle RMS Z-score | 0.718 | 0.657 |
Model quality | ||
Ramachandran plot normality | -0.658 63 | -0.470 68 |
Rotamer normality | -0.188 90 | 0.449 96 |
Coarse packing | -0.193 52 | -0.251 49 |
Fine packing | -2.011 14 | -1.967 15 |
Bump severity | 0.001 92 | 0.001 92 |
Hydrogen bond satisfaction | 0.900 50 | 0.903 54 |
WHAT_CHECK | Report | Report |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 25 |
Side chains flipped | 3 |
Waters removed | 103 |
Peptides flipped | 0 |
Chiralities fixed | 0 |
Residues fitting density better | 17 |
Residues fitting density worse | 0 |