5G53

Structure of the adenosine A2A receptor bound to an engineered G protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-04-09
Detector	DECTRIS PILATUS 2M
Spacegroup name	P 21 21 21
Unit cell lengths	90.632, 111.814, 161.304
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	91.890 - 3.400
R-factor	0.28537
Rwork	0.284
R-free	0.31542
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ENTRIES 2YDV 3sn6
RMSD bond length	0.008
RMSD bond angle	1.149
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0144)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.300	3.490
High resolution limit [Å]	3.400	3.400
Rmerge	0.170	0.750
Number of reflections	20898
<I/σ(I)>	3.6	1.2
Completeness [%]	90.6	78.5
Redundancy	2.6	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5.5		0.1 M NAOAC PH 5.5, 10% PEG 2000 (IN THE PRESENCE OF CHS); OR 0.1 M NAOAC PH 5.7, 9.5% PEG 2000 MME (IN THE ABSENCE OF CHS)