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| Crystal Structure of Pseudomonas aeruginosa Lectin LecA Complexed with Chlorophenol Red-b-D-galactopyranoside at 2.86 A Resolution |
| This entry was created with PDB-REDO version 8.04 using the deposited PDB model version 1.2 |
| From original header | |||||||
|---|---|---|---|---|---|---|---|
| Spacegroup | P 21 21 21 | a: 89.068 Å | b: 150.829 Å | c: 185.817 Å | α: 90.00° | β: 90.00° | γ: 90.00° |
| Resolution | 2.86 Å | Reflections | 57995 | Test set | 2900 (5.0%) | ||
| R | 0.2351 | R-free | 0.2708 | ||||
| According to PDB-REDO | |||||||
| Resolution | 2.86 Å | Reflections | 57995 | Test set | 2900 (5.0%) | ||
| 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 | 0.2385 | 0.2070 |
| R-free | 0.2711 | 0.2266 |
| Bond length RMS Z-score | 0.992 | 0.447 |
| Bond angle RMS Z-score | 0.525 | 0.582 |
| Model quality | ||
| Ramachandran plot normality | -2.992 16 | -0.633 64 |
| Rotamer normality | 0.038 93 | 0.188 94 |
| Coarse packing | -1.731 4 | -1.304 9 |
| Fine packing | -2.636 4 | -2.128 11 |
| Bump severity | 0.005 74 | 0.007 67 |
| Hydrogen bond satisfaction | 0.861 17 | 0.879 28 |
| WHAT_CHECK | Report | Report |
Kleywegt-like plot |
| Description | Count |
|---|---|
| Rotamers changed | 37 |
| Side chains built | 0 |
| Waters removed | 40 |
| Peptides flipped | 0 |
| Chiralities fixed | 0 |
| Residues fitting density better | 35 |
| Residues fitting density worse | 0 |