8JWZ

Crystal structure of A2AR-T4L in complex with AB928

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL45XU
Synchrotron site	SPring-8
Beamline	BL45XU
Temperature [K]	99
Detector technology	PIXEL
Collection date	2023-04-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	46.870, 76.200, 85.660
Unit cell angles	90.00, 101.63, 90.00

Refinement procedure

Resolution	20.000 - 2.370
R-factor	0.1933
Rwork	0.189
R-free	0.24030
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.581
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.900	2.510
High resolution limit [Å]	2.370	2.370
Number of reflections	24124	376
<I/σ(I)>	10.25	1.57
Completeness [%]	100.0	100
Redundancy	20	15
CC(1/2)	0.990	0.560

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	6.6	291	100 mM sodium cacodylate trihydrate pH 6.6, 120 mM ammonium tartrate dibasic, 32% PEG 40