8PWN

Structure of A2A adenosine receptor A2AR-StaR2-bRIL, solved at wavelength 2.75 A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I23
Synchrotron site	Diamond
Beamline	I23
Temperature [K]	80
Detector technology	PIXEL
Collection date	2019-10-31
Detector	DECTRIS PILATUS 12M
Wavelength(s)	2.7552
Spacegroup name	C 2 2 21
Unit cell lengths	39.310, 179.640, 139.540
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	89.820 - 2.400
R-factor	0.22434
Rwork	0.222
R-free	0.26077
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.206
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	HKL2Map
Refinement software	REFMAC (5.8.0257)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	89.820	2.486
High resolution limit [Å]	2.400	2.400
Number of reflections	18936	1997
<I/σ(I)>	18.63
Completeness [%]	100.0
Redundancy	47.1
CC(1/2)	0.999	0.518

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293	0.1 M TRI-SODIUM CITRATE PH 5.3-5.4, 0.05 M SODIUM THIOCYANATE, 29-32% PEG400, 2%(V/V) 2,5-HEXANEDIOL