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 |