3VGA
Crystal structure of human adenosine A2A receptor with an allosteric inverse-agonist antibody at 3.1 A resolution
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 | 2010-03-07 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 120.313, 89.766, 110.682 |
| Unit cell angles | 90.00, 96.14, 90.00 |
Refinement procedure
| Resolution | 19.996 - 3.100 |
| R-factor | 0.1992 |
| Rwork | 0.196 |
| R-free | 0.26330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1vga |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.278 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.7.1_743)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 71.200 | 3.270 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Rmerge | 0.109 | 0.636 |
| Number of reflections | 18451 | |
| <I/σ(I)> | 5.3 | 1.5 |
| Completeness [%] | 88.8 | 90.4 |
| Redundancy | 2.3 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 30% PEG 400, 0.1M MES, 0.2M magnesium chloride, 0.5% octhyl thioglucoside , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
