8RWX
Steady state structure of the human adenosine A2A receptor bound to synthetic photoswitch 'StilSwitch3' determined by serial synchrotron crystallography
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] | 293 |
| Detector technology | PIXEL |
| Collection date | 2022-04-24 |
| Detector | PSI JUNGFRAU 16M |
| Wavelength(s) | 1 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 40.550, 182.540, 143.660 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.940 - 3.050 |
| R-factor | 0.312 |
| Rwork | 0.310 |
| R-free | 0.34700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.457 |
| Data reduction software | CrystFEL (0.9.1) |
| Data scaling software | CrystFEL (0.9.1) |
| Phasing software | PHENIX (1.20) |
| Refinement software | PHENIX ((1.20_4459: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 142.130 | 3.160 |
| High resolution limit [Å] | 3.050 | 3.050 |
| Number of reflections | 10568 | 993 |
| <I/σ(I)> | 5.11 | 0.61 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 252.2 | 151.6 |
| CC(1/2) | 0.992 | 0.216 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 5.85 | 293 | 0.1 M sodium potassium phosphate pH 5.85, 27-30% PEG 500 MME, 0.2 M sodium thiocyanate, 0.4 mM StilSwitch3 |
