6ZDR

Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with Chromone 4d

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	2018-03-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.96861
Spacegroup name	C 2 2 21
Unit cell lengths	39.263, 180.226, 140.001
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.060 - 1.918
R-factor	0.2082
Rwork	0.208
R-free	0.21770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5iu4
RMSD bond length	0.022
RMSD bond angle	1.470
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER (2.11.7)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.060	2.000
High resolution limit [Å]	1.918	1.920
Number of reflections	32710	655
<I/σ(I)>	9.2
Completeness [%]	90.8
Redundancy	6.9
CC(1/2)	0.862	0.527

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293	PEG 400; Sodium Citrate; Sodium Thiocyanate; 2,5 Hexanediol