6S0Q

Structure of the A2A adenosine receptor determined at SwissFEL using native-SAD at 4.57 keV from 50,000 diffraction patterns

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	SwissFEL ARAMIS BEAMLINE ESA
Synchrotron site	SwissFEL ARAMIS
Beamline	ESA
Temperature [K]	297
Detector technology	PIXEL
Collection date	2018-08-12
Detector	PSI JUNGFRAU 1M
Wavelength(s)	2.713
Spacegroup name	C 2 2 21
Unit cell lengths	40.340, 180.660, 143.050
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.491 - 2.650
R-factor	0.1954
Rwork	0.194
R-free	0.22100
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.593
Data reduction software	CrystFEL (0.8.0)
Data scaling software	CrystFEL (0.8.0)
Phasing software	CRANK2
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.710	2.710
High resolution limit [Å]	2.650	2.650
Number of reflections	29312	1960
<I/σ(I)>	12.7
Completeness [%]	100.0
Redundancy	193

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		297	0.1M sodium citrate pH 5.0, 0.05M sodium thiocyanate, 28-34% PEG400, 5 mM ZM241385, 2% (v/v) 1,6-hexanedio