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| Reversal Agent for Dabigatran |
| This entry was created with PDB-REDO version 8.13 using the deposited PDB model version 1.2 |
| From original header | |||||
|---|---|---|---|---|---|
| Spacegroup | P 1 21 1 | a: 51.806Å b: 128.920Å c: 60.256Å | α: 90.00° β: 92.30° γ: 90.00° | ||
| Resolution | 1.90 Å | Reflections | 61647 | Test set | 3116 (5.1%) |
| R | 0.1811 | R-free | 0.2146 | ||
| According to PDB-REDO | |||||
| Resolution | 1.90 Å | Reflections | 61647 | Test set | 3116 (5.1%) |
| Twin | false | Radiation damage | 63 | ||
| PDB-REDO files | |||||
| Re-refined and rebuilt structure |
Re-refined (only) structure
|
All files
(compressed) |
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| Links | |||||
| PDBe | RCSB PDB | Proteopedia | |||
| Original | PDB-REDO | |
|---|---|---|
| Crystallographic refinement | ||
| R | 0.1934 | 0.1832 |
| R-free | 0.2271 | 0.2232 |
| Bond length RMS Z-score | 0.762 | 0.275 |
| Bond angle RMS Z-score | 0.794 | 0.522 |
| Model quality | ||
| Ramachandran plot normality | 0.262 87 | 0.334 88 |
| Rotamer normality | -1.299 66 | 0.353 93 |
| Coarse packing | 0.655 76 | 0.709 77 |
| Fine packing | 1.295 96 | 1.203 96 |
| Bump severity | 0.002 85 | 0.003 81 |
| Hydrogen bond satisfaction | 0.914 69 | 0.916 72 |
| WHAT_CHECK | Report | Report |
Kleywegt-like plot |
| Description | Count |
|---|---|
| Rotamers changed | 12 |
| Side chains built | 2 |
| Waters removed | 61 |
| Peptides flipped | 0 |
| Chiralities fixed | 0 |
| Residues fitting density better | 0 |
| Residues fitting density worse | 0 |