8RQQ

In meso structure of the adenosine A2a G protein-coupled receptor, A2aR, in 7.10 monoacylglycerol

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-12-10
Detector	DECTRIS EIGER2 X CdTe 9M
Wavelength(s)	1
Spacegroup name	C 2 2 21
Unit cell lengths	39.690, 180.440, 141.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.167 - 2.370
R-factor	0.2235
Rwork	0.221
R-free	0.27360
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.806
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.167	2.460
High resolution limit [Å]	2.370	2.370
Number of reflections	16601	873
<I/σ(I)>	6.8
Completeness [%]	89.5
Redundancy	20.1
CC(1/2)	0.990	0.460

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293	30-35.5 %(v/v) PEG400, 50 mM sodium thiocyanate, 100 mM sodium citrate at pH 5, 0.2 %(v/v) 2,5-hexanediol, and 0.025 mM ZM241385