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Structure of a Streptococcus pneumoniae fucose binding module in complex with the blood group A-tetrasaccharide |
This entry was created with PDB-REDO version 7.32. |
From original header | |||||||
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Spacegroup | P 21 21 21 | a: 43.649 Å | b: 60.372 Å | c: 99.087 Å | α: 90.00° | β: 90.00° | γ: 90.00° |
Resolution | 1.80 Å | Reflections | 23674 | Test set | 1217 (5.1%) | ||
R | 0.1710 | R-free | 0.2360 | ||||
According to PDB-REDO | |||||||
Resolution | 1.80 Å | Reflections | 23674 | Test set | 1217 (5.1%) | ||
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 | |
---|---|---|
Crystallographic refinement | ||
R | 0.1867 | 0.1859 |
R-free | 0.2448 | 0.2308 |
Bond length RMS Z-score | 0.786 | 0.335 |
Bond angle RMS Z-score | 0.834 | 0.601 |
Model quality | ||
Ramachandran plot normality | -0.359 71 | 0.164 83 |
Rotamer normality | -1.191 74 | 0.549 96 |
Coarse packing | 0.329 77 | 0.429 80 |
Fine packing | -1.055 51 | -0.741 63 |
Bump severity | 0.003 82 | 0.000 96 |
Hydrogen bond satisfaction | 0.897 46 | 0.897 46 |
WHAT_CHECK | Report | Report |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 13 |
Side chains flipped | 1 |
Waters removed | 47 |
Peptides flipped | 0 |
Chiralities fixed | 0 |
Residues fitting density better | 2 |
Residues fitting density worse | 0 |