8RW7

Crystal structure of the adenosine A2A receptor in complex with the synthetic photoswitch 'StilSwitch1

This is a non-PDB format compatible entry.

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	2020-08-30
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	C 2 2 21
Unit cell lengths	39.519, 179.697, 139.927
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.920 - 2.250
R-factor	0.188
Rwork	0.187
R-free	0.21410
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.632
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.20_4459: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.920	2.330
High resolution limit [Å]	2.250	2.250
Rpim	0.044	0.046
Number of reflections	24300	2405
<I/σ(I)>	9.25	2.16
Completeness [%]	99.9	99.92
Redundancy	12	2
CC(1/2)	0.998	0.634

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	5	293	0.1 M Sodium citrate pH 5, 0.05 M Sodium thiocyanate, 3% (v/v) 2-methyl-2,4-pentanediol, 32% (v/v) PEG 400, 1 mM Theophylline