8RWH

Dark structure of the human adenosine A2A receptor bound to synthetic photoswitch 'StilSwitch2' 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 - 2.450
R-factor	0.1958
Rwork	0.191
R-free	0.24080
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.549
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	2.540
High resolution limit [Å]	2.450	2.450
Number of reflections	20116	1902
<I/σ(I)>	8.89	0.71
Completeness [%]	100.0	100
Redundancy	691.8	109.1
CC(1/2)	0.993	0.278

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 StilSwitch2