5NM2

A2A Adenosine receptor cryo structure

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	2016-12-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	C 2 2 21
Unit cell lengths	39.428, 179.599, 139.847
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.373 - 1.948
R-factor	0.1763
Rwork	0.175
R-free	0.21230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5iu4
RMSD bond length	0.013
RMSD bond angle	1.155
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.000
High resolution limit [Å]	1.948	1.948
Rmeas	0.168	0.918
Number of reflections	32392	1670
<I/σ(I)>	10.36	1.13
Completeness [%]	87.6	61.7
Redundancy	9.5	2
CC(1/2)	0.998	0.461

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	5	291	0.1M sodium citrate pH 5.0, 0.05M sodium thiocyanate, 28-34% PEG400, 5 mM ZM241385, 2% (v/v) 1,6-hexanedio