8RW0
Crystal structure of the adenosine A2A receptor in complex with Istradefylline
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-04-27 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 39.333, 179.345, 139.860 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.420 - 1.940 |
| R-factor | 0.1935 |
| Rwork | 0.192 |
| R-free | 0.21660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.047 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.20_4459: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.420 | 2.010 |
| High resolution limit [Å] | 1.940 | 1.940 |
| Rpim | 0.045 | 0.599 |
| Number of reflections | 70192 | 3585 |
| <I/σ(I)> | 12.3 | 1.19 |
| Completeness [%] | 99.6 | 97.95 |
| Redundancy | 6.6 | 6.6 |
| CC(1/2) | 0.999 | 0.479 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 5 | 293 | 0.1 M Sodium citrate pH 5, 0.05 M Sodium thiocyanate, 3% (v/v) 2-methyl-2,4-pentanediol, 32% (v/v) PEG 400, 1 mM Theophylline |
