3QAK
Agonist bound structure of the human adenosine A2a receptor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Detector technology | CCD |
| Collection date | 2010-12-16 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0332 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.836, 78.944, 86.579 |
| Unit cell angles | 90.00, 100.54, 90.00 |
Refinement procedure
| Resolution | 29.610 - 2.710 |
| R-factor | 0.21993 |
| Rwork | 0.217 |
| R-free | 0.27308 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.265 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.610 | 2.800 |
| High resolution limit [Å] | 2.710 | 2.700 |
| Rmerge | 0.129 | 0.715 |
| Number of reflections | 16713 | |
| <I/σ(I)> | 14.6 | 1.8 |
| Completeness [%] | 98.0 | 91.3 |
| Redundancy | 6.2 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 5 | 293 | PEG400 30%v/v, MgCl2 200mM, pH 5.0, Lipidic cubic phase, temperature 293K |
