6WQA

2.0A angstrom A2a adenosine receptor structure using XFEL data collected in helium atmosphere.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	SLAC LCLS BEAMLINE CXI
Synchrotron site	SLAC LCLS
Beamline	CXI
Temperature [K]	293
Detector technology	CCD
Collection date	2014-12-15
Detector	RAYONIX MX170-HS
Wavelength(s)	1.283
Spacegroup name	C 2 2 21
Unit cell lengths	40.350, 180.500, 142.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.700 - 2.000
R-factor	0.194
Rwork	0.193
R-free	0.21600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5k2d
RMSD bond length	0.010
RMSD bond angle	1.060
Data reduction software	CrystFEL (0.8.0+049c3eb4)
Data scaling software	CrystFEL (0.8.0+049c3eb4)
Phasing software	PHASER (1.17)
Refinement software	BUSTER (2.10.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.700	2.070
High resolution limit [Å]	2.000	2.000
Number of reflections	35870	3486
<I/σ(I)>	4.1	1.22
Completeness [%]	100.0	100
Redundancy	205

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293	PEG400, sodium thiocyanate, sodium citrate