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| CGL2 in complex with Blood Group A tetrasaccharide |
| This entry was created with PDB-REDO version 7.32. |
| From PDB header | |||||||
|---|---|---|---|---|---|---|---|
| Spacegroup | P 32 2 1 | a: 61.409 Å | b: 61.409 Å | c: 194.233 Å | α: 90.00° | β: 90.00° | γ: 120.00° |
| Resolution | 2.36 Å | Reflections | 17737 | Test set | 865 (4.9%) | ||
| R | 0.2090 | R-free | 0.2470 | ||||
| According to PDB-REDO | |||||||
| Resolution | 2.36 Å | Reflections | 17737 | Test set | 865 (4.9%) | Twin | false |
| 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 | ||||
| PDB | PDB-REDO | |
|---|---|---|
| Crystallographic refinement | ||
| R | 0.2069 | 0.1826 |
| R-free | 0.2369 | 0.2062 |
| Bond length RMS Z-score | 0.283 | 0.508 |
| Bond angle RMS Z-score | 0.655 | 0.755 |
| Model quality | ||
| Ramachandran plot normality | 2.310 24 | 0.491 68 |
| Rotamer normality | 1.289 72 | 0.240 94 |
| Coarse packing | 0.272 75 | 0.232 73 |
| Fine packing | 0.182 79 | 0.087 81 |
| Bump severity | 0.010 58 | 0.002 87 |
| Hydrogen bond satisfaction | 0.932 88 | 0.926 83 |
| WHAT_CHECK | Report | Report |
Kleywegt-like plot |
| Description | Count |
|---|---|
| Rotamers changed | 5 |
| Side chains flipped | 0 |
| Waters removed | 13 |
| Peptides flipped | 0 |
| Chiralities fixed | 0 |
| Residues fitting density better | 1 |
| Residues fitting density worse | 0 |