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| His 62 mutant of the lectin binding domain of Lectinolysin complexed with Lewis b |
| This entry was created with PDB-REDO version 8.04 using the deposited PDB model version 2.1 |
| From original header | |||||||
|---|---|---|---|---|---|---|---|
| Spacegroup | P 43 21 2 | a: 66.923 Å | b: 66.923 Å | c: 99.387 Å | α: 90.00° | β: 90.00° | γ: 90.00° |
| Resolution | 1.60 Å | Reflections | 29456 | Test set | 1499 (5.1%) | ||
| R | 0.1790 | R-free | 0.2103 | ||||
| According to PDB-REDO | |||||||
| Resolution | 1.60 Å | Reflections | 29456 | Test set | 1499 (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 | 0.1749 | 0.1383 |
| R-free | 0.2029 | 0.1762 |
| Bond length RMS Z-score | 2.206 | 0.880 |
| Bond angle RMS Z-score | 1.649 | 0.820 |
| Model quality | ||
| Ramachandran plot normality | -0.309 73 | 0.364 87 |
| Rotamer normality | -0.337 88 | 1.025 98 |
| Coarse packing | 1.223 96 | 1.235 96 |
| Fine packing | -1.124 48 | -0.735 63 |
| Bump severity | 0.217 5 | 0.081 12 |
| Hydrogen bond satisfaction | 0.925 82 | 0.899 49 |
| WHAT_CHECK | Report | Report |
Kleywegt-like plot |
| Description | Count |
|---|---|
| Rotamers changed | 7 |
| Side chains built | 0 |
| Waters removed | 18 |
| Peptides flipped | 0 |
| Chiralities fixed | 0 |
| Residues fitting density better | 44 |
| Residues fitting density worse | 0 |