6OBA
The beta2 adrenergic receptor bound to a negative allosteric modulator
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL32XU |
Synchrotron site | SPring-8 |
Beamline | BL32XU |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2016-12-09 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 1.000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 40.460, 75.710, 173.410 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.977 - 3.100 |
R-factor | 0.2536 |
Rwork | 0.251 |
R-free | 0.27720 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2rh1 |
RMSD bond length | 0.008 |
RMSD bond angle | 0.749 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.900 | 3.200 |
High resolution limit [Å] | 3.100 | 3.100 |
Number of reflections | 10168 | 886 |
<I/σ(I)> | 8.5 | 1.27 |
Completeness [%] | 99.1 | 98.2 |
Redundancy | 13.3 | 9.7 |
CC(1/2) | 0.996 | 0.685 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 8 | 293 | 0.1 M Tris-HCl, pH 8.0, 30-40% PEG400, 300-400 mM sodium formate, 6% 1,4-butanediol, 1 mM alprenolol, 1 mM AS408, 1% DMSO |