3EML
The 2.6 A Crystal Structure of a Human A2A Adenosine Receptor bound to ZM241385.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Detector technology | CCD |
| Collection date | 2008-06-28 |
| Detector | MARMOSAIC 300 mm CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.736, 76.932, 86.553 |
| Unit cell angles | 90.00, 101.32, 90.00 |
Refinement procedure
| Resolution | 19.420 - 2.600 |
| R-factor | 0.198 |
| Rwork | 0.196 |
| R-free | 0.23100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2rh1 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.800 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Number of reflections | 18465 | |
| <I/σ(I)> | 7.35 | 2.3 |
| Completeness [%] | 96.8 | 93.9 |
| Redundancy | 3.4 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 293 | PEG400 30%v/v, LiSO4 185mM, NaCitrate 100mM, pH 6.5, Lipidic mesophase, temperature 293K |
