6ZDV

Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with Chromone 5d

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-03-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000
Spacegroup name	C 2 2 21
Unit cell lengths	39.414, 179.833, 140.085
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.800 - 2.130
R-factor	0.2155
Rwork	0.215
R-free	0.22400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5iu4
RMSD bond length	0.023
RMSD bond angle	1.590
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]	42.808	2.243
High resolution limit [Å]	2.130	2.130
Number of reflections	25511	1268
<I/σ(I)>	11
Completeness [%]	91.8
Redundancy	9.4
CC(1/2)	0.998	0.458

Crystallization Conditions

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