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| Human Aldose Reductase in complex with NADP+ and the inhibitor IDD594 at 0.66 Angstrom |
| This entry was created with PDB-REDO version 8.08 using the deposited PDB model version 1.3 |
| From original header | |||||
|---|---|---|---|---|---|
| Spacegroup | P 1 21 1 | a: 49.280Å b: 66.590Å c: 47.260Å | α: 90.00° β: 92.40° γ: 90.00° | ||
| Resolution | 0.66 Å | Reflections | 511213 | Test set | 25585 (5.0%) |
| R | 0.0936 | R-free | 0.1032 | ||
| According to PDB-REDO | |||||
| Resolution | 0.66 Å | Reflections | 511213 | Test set | 25585 (5.0%) |
| Twin | false | Radiation damage | 10 | ||
| PDB-REDO files | |||||
| Re-refined and rebuilt structure | Re-refined (only) structure |
All files
(compressed) |
|||
| Links | |||||
| PDBe | RCSB PDB | Proteopedia | |||
| Original | PDB-REDO | |
|---|---|---|
| Crystallographic refinement | ||
| R | 0.0920 | 0.1013 |
| R-free |
0.0905
R-free was considered biased, the
estimated unbiased R-free was used
|
0.1076 |
| Bond length RMS Z-score | 5.346 | 0.923 |
| Bond angle RMS Z-score | 1.743 | 1.083 |
| Model quality | ||
| Ramachandran plot normality | -0.020 82 | 0.084 84 |
| Rotamer normality | -0.073 89 | 0.116 91 |
| Coarse packing | 0.454 68 | 0.445 68 |
| Fine packing | -1.551 30 | -1.371 37 |
| Bump severity | 0.003 81 | 0.003 81 |
| Hydrogen bond satisfaction | 0.874 24 | 0.875 25 |
| WHAT_CHECK | Report | Report |
Kleywegt-like plot |
| Description | Count |
|---|---|
| Rotamers changed | 2 |
| Side chains built | 0 |
| Waters removed | 73 |
| Peptides flipped | 0 |
| Chiralities fixed | 0 |
| Residues fitting density better | 59 |
| Residues fitting density worse | 126 |