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SrpA adhesin in complex with sialyllactosamine |
This entry was created with PDB-REDO version 7.32. |
From original header | |||||||
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Spacegroup | C 1 2 1 | a: 174.522 Å | b: 46.769 Å | c: 64.761 Å | α: 90.00° | β: 102.72° | γ: 90.00° |
Resolution | 1.68 Å | Reflections | 55930 | Test set | 2754 (4.9%) | ||
R | 0.1820 | R-free | 0.2070 | ||||
According to PDB-REDO | |||||||
Resolution | 1.68 Å | Reflections | 55930 | Test set | 2754 (4.9%) | ||
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 | 0.1905 | 0.1878 |
R-free | 0.2209 R-free was considered biased, the estimated unbiased R-free was used | 0.2130 |
Bond length RMS Z-score | 0.421 | 0.513 |
Bond angle RMS Z-score | 0.669 | 0.705 |
Model quality | ||
Ramachandran plot normality | 0.674 91 | 0.551 89 |
Rotamer normality | -0.503 86 | 0.118 93 |
Coarse packing | 0.187 71 | 0.183 71 |
Fine packing | -1.240 43 | -1.127 48 |
Bump severity | 0.010 58 | 0.011 56 |
Hydrogen bond satisfaction | 0.912 67 | 0.928 85 |
WHAT_CHECK | Report | Report |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 4 |
Side chains flipped | 0 |
Waters removed | 114 |
Peptides flipped | 0 |
Chiralities fixed | 0 |
Residues fitting density better | 1 |
Residues fitting density worse | 1 |