8RVW
Dark 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 | 45.640 - 2.650 |
R-factor | 0.1957 |
Rwork | 0.192 |
R-free | 0.23260 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.200 |
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 | 2.750 |
High resolution limit [Å] | 2.650 | 2.650 |
Number of reflections | 15996 | 1508 |
<I/σ(I)> | 7.55 | 0.63 |
Completeness [%] | 100.0 | 100 |
Redundancy | 638.8 | 220.8 |
CC(1/2) | 0.960 | 0.145 |
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 |