8RWC
Crystal structure of the adenosine A2A receptor in complex with the synthetic photoswitch 'StilSwitch2
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 | 2021-06-18 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 39.424, 179.269, 139.750 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.680 - 2.310 |
| R-factor | 0.1952 |
| Rwork | 0.193 |
| R-free | 0.24140 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.569 |
| 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] | 46.580 | 2.390 |
| High resolution limit [Å] | 2.310 | 2.310 |
| Rpim | 0.044 | 0.651 |
| Number of reflections | 22234 | 2066 |
| <I/σ(I)> | 13.9 | 1.3 |
| Completeness [%] | 99.7 | 97.3 |
| Redundancy | 38.6 | 6.7 |
| CC(1/2) | 0.997 | 0.463 |
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 |
