7B6W
Crystal structure of the human alpha1B adrenergic receptor in complex with inverse agonist (+)-cyclazosin
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-02-19 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 67.883, 76.415, 151.634 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.726 - 2.873 |
| Rwork | 0.289 |
| R-free | 0.31660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6ibl |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.275 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.726 | 3.066 |
| High resolution limit [Å] | 2.873 | 2.874 |
| Rmerge | 0.774 | 5.989 |
| Rpim | 0.316 | 2.615 |
| Number of reflections | 14777 | 724 |
| <I/σ(I)> | 5.5 | 1.7 |
| Completeness [%] | 89.0 | |
| Redundancy | 6.9 | |
| CC(1/2) | 0.618 | 0.159 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 6 | 293.15 | 100 mM MES 400-480 mM Li citrate 28-33% (w/v) PEG400 10 mM L-glutathione reduced form 10 uM cyclazosin |
