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| CGL2 in complex with Blood Group A tetrasaccharide |
| This entry was created with PDB-REDO version 8.08 using the deposited PDB model version 2.2 |
| From original 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 | Radiation damage | 82 | ||||
| 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 | 0.2068 | 0.1851 |
| R-free | 0.2371 | 0.2049 |
| Bond length RMS Z-score | 0.531 | 0.415 |
| Bond angle RMS Z-score | 0.752 | 0.613 |
| Model quality | ||
| Ramachandran plot normality | -2.097 29 | -0.463 71 |
| Rotamer normality | -1.289 66 | 0.612 95 |
| Coarse packing | 0.314 63 | 0.340 64 |
| Fine packing | -0.332 76 | -0.283 77 |
| Bump severity | 0.010 56 | 0.003 81 |
| Hydrogen bond satisfaction | 0.927 84 | 0.919 76 |
| WHAT_CHECK | Report | Report |
Kleywegt-like plot |
| Description | Count |
|---|---|
| Rotamers changed | 5 |
| Side chains built | 0 |
| Waters removed | 11 |
| Peptides flipped | 0 |
| Chiralities fixed | 0 |
| Residues fitting density better | 1 |
| Residues fitting density worse | 0 |