3VG9
Crystal structure of human adenosine A2A receptor with an allosteric inverse-agonist antibody at 2.7 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 | 121.180, 90.150, 113.550 |
| Unit cell angles | 90.00, 98.10, 90.00 |
Refinement procedure
| Resolution | 19.995 - 2.700 |
| R-factor | 0.2079 |
| Rwork | 0.206 |
| R-free | 0.24570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3EML and 1P7K |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.032 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.7_650)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 72.100 | 2.850 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.115 | 0.590 |
| Number of reflections | 31030 | |
| <I/σ(I)> | 4.5 | 1.3 |
| Completeness [%] | 93.2 | 92.9 |
| Redundancy | 2.3 | 2.3 |
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 |
