3UZA
Thermostabilised Adenosine A2A receptor in complex with 6-(2,6-Dimethylpyridin-4-yl)-5-phenyl-1,2,4-triazin-3-amine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2010-05-12 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9777 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 111.814, 111.896, 125.841 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.773 - 3.273 |
| R-factor | 0.2952 |
| Rwork | 0.293 |
| R-free | 0.33470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3pwh |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.466 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.4_84)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.400 | 3.460 |
| High resolution limit [Å] | 3.273 | 3.273 |
| Rmerge | 0.110 | 0.960 |
| Number of reflections | 11568 | |
| <I/σ(I)> | 7.3 | 1.6 |
| Completeness [%] | 93.6 | 88.2 |
| Redundancy | 6.1 | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 277 | 32-42% PEG1000, 0.25M MGCL2, 0.3% NG, 0.1%(W/V) 1-BUTANOL, 0.05% CYMAL-6, 0.1M TRIS-HCL, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
