This entry is not up to date with the most recent version of PDB-REDO.
Please log in
to request an update.
| Irreversible Agonist-Beta2 Adrenoceptor Complex |
| This entry was created with PDB-REDO version 8.13 using the deposited PDB model version 1.5 |
| From original header | |||||
|---|---|---|---|---|---|
| Spacegroup | P 21 21 2 | a: 282.440Å b: 40.045Å c: 65.206Å | α: 90.00° β: 90.00° γ: 90.00° | ||
| Resolution | 3.50 Å | Reflections | 9353 | Test set | 944 (10.1%) |
| R | 0.2380 | R-free | 0.2830 | ||
| According to PDB-REDO | |||||
| Resolution | 3.50 Å | Reflections | 9353 | Test set | 944 (10.1%) |
| Twin | false | Radiation damage | 84 | ||
| 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 | 0.2791 | 0.2266 |
| R-free | 0.3257 | 0.3075 |
| Bond length RMS Z-score | 0.862 | 0.234 |
| Bond angle RMS Z-score | 0.750 | 0.424 |
| Model quality | ||
| Ramachandran plot normality | -4.736 6 | -4.326 7 |
| Rotamer normality | -5.236 8 | -2.513 41 |
| Coarse packing | 0.462 69 | 1.102 87 |
| Fine packing | -0.504 71 | -0.041 82 |
| Bump severity | 0.000 95 | 0.002 85 |
| Hydrogen bond satisfaction | 0.837 10 | 0.868 21 |
| WHAT_CHECK | Report | Report |
Kleywegt-like plot |
| Description | Count |
|---|---|
| Rotamers changed | 3 |
| Side chains built | 0 |
| Waters removed | 0 |
| Peptides flipped | 0 |
| Chiralities fixed | 0 |
| Residues fitting density better | 8 |
| Residues fitting density worse | 0 |