3PWH
Thermostabilised Adenosine A2A Receptor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 200 |
| Detector technology | PIXEL |
| Collection date | 2010-05-06 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9777 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 111.935, 112.551, 125.678 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.842 - 3.296 |
| R-factor | 0.2779 |
| Rwork | 0.276 |
| R-free | 0.31560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3eml |
| RMSD bond length | 0.001 |
| RMSD bond angle | 0.388 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.4_84)) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 83.844 |
| High resolution limit [Å] | 3.296 |
| Rmerge | 0.119 |
| Number of reflections | 12191 |
| <I/σ(I)> | 10.3 |
| Completeness [%] | 99.9 |
| Redundancy | 10.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.1 | 277 | 32-42% PEG1000, 0.25M MgCl2, 0.3% NG, 0.1%(w/v) 1-Butanol, 0.05% CYMAL-6, pH 8.1, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
