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The structure of GH101 E796Q mutant from Streptococcus pneumoniae TIGR4 in complex with 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: 87.200 Å | b: 121.890 Å | c: 139.340 Å | α: 90.00° | β: 90.00° | γ: 90.00° |
Resolution | 2.50 Å | Reflections | 51987 | Test set | 2599 (5.0%) | ||
R | 0.1670 | R-free | 0.2290 | ||||
According to PDB-REDO | |||||||
Resolution | 2.50 Å | Reflections | 51987 | Test set | 2599 (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 | 0.1677 | 0.1858 |
R-free | 0.2292 | 0.2263 |
Bond length RMS Z-score | 0.565 | 0.277 |
Bond angle RMS Z-score | 0.746 | 0.571 |
Model quality | ||
Ramachandran plot normality | -1.906 31 | -1.850 32 |
Rotamer normality | -1.923 59 | -0.878 80 |
Coarse packing | -0.401 41 | -0.414 40 |
Fine packing | -2.060 13 | -2.004 14 |
Bump severity | 0.004 78 | 0.002 87 |
Hydrogen bond satisfaction | 0.903 54 | 0.894 43 |
WHAT_CHECK | Report | Report |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 33 |
Side chains flipped | 4 |
Waters removed | 20 |
Peptides flipped | 0 |
Chiralities fixed | 0 |
Residues fitting density better | 0 |
Residues fitting density worse | 0 |