8RW4
Crystal structure of the adenosine A2A receptor in complex with the synthetic photoswitch 'AzoSwitch2
This is a non-PDB format compatible entry.
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 | 2020-08-30 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 39.494, 179.587, 139.991 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.410 - 2.200 |
| R-factor | 0.2026 |
| Rwork | 0.200 |
| R-free | 0.23460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.760 |
| 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] | 46.660 | 2.270 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rpim | 0.091 | 0.704 |
| Number of reflections | 25908 | 2169 |
| <I/σ(I)> | 6.5 | 2.1 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 6.6 | 6 |
| CC(1/2) | 0.996 | 0.388 |
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 |
