This entry is not up to date with the most recent version of PDB-REDO.
Please log in
to request an update.
| Human Cytochrome P450 2D6 BACE1 Inhibitor 5 Complex |
| This entry was created with PDB-REDO version 7.36 using the deposited PDB model |
| From original header | |||||||
|---|---|---|---|---|---|---|---|
| Spacegroup | P 21 21 21 | a: 57.064 Å | b: 192.341 Å | c: 247.304 Å | α: 90.00° | β: 90.00° | γ: 90.00° |
| Resolution | 2.50 Å | Reflections | 94973 | Test set | 4767 (5.0%) | ||
| R | 0.2080 | R-free | 0.2510 | ||||
| According to PDB-REDO | |||||||
| Resolution | 2.50 Å | Reflections | 94973 | Test set | 4767 (5.0%) | ||
| Twin | false | Radiation damage | N/A | ||||
| PDB-REDO files | |||||||
| Re-refined and rebuilt structure | Re-refined (only) structure |
All files
(compressed) |
|||||
| Links | |||||||
| PDBe | RCSB PDB | 3D bionotes | Proteopedia | ||||
| Original | PDB-REDO | |
|---|---|---|
| Crystallographic refinement | ||
| R | 0.2247 | 0.1949 |
| R-free | 0.2613 | 0.2247 |
| Bond length RMS Z-score | 0.176 | 0.540 |
| Bond angle RMS Z-score | 0.444 | 0.800 |
| Model quality | ||
| Ramachandran plot normality | -2.399 23 | -1.834 33 |
| Rotamer normality | -2.141 55 | -3.015 39 |
| Coarse packing | -0.689 27 | -0.701 27 |
| Fine packing | -0.837 59 | -0.706 64 |
| Bump severity | 0.026 33 | 0.018 42 |
| Hydrogen bond satisfaction | 0.870 22 | 0.875 25 |
| WHAT_CHECK | Report | Report |
Kleywegt-like plot |
| Description | Count |
|---|---|
| Rotamers changed | 34 |
| Side chains built | 0 |
| Waters removed | 16 |
| Peptides flipped | 9 |
| Chiralities fixed | 0 |
| Residues fitting density better | 50 |
| Residues fitting density worse | 1 |