3SN6

Crystal structure of the beta2 adrenergic receptor-Gs protein complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	78
Detector technology	CCD
Collection date	2011-04-15
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.033
Spacegroup name	P 1 21 1
Unit cell lengths	119.339, 64.555, 131.240
Unit cell angles	90.00, 91.67, 90.00

Refinement procedure

Resolution	40.675 - 3.200
R-factor	0.2282
Rwork	0.226
R-free	0.27720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB entries 3P0G 1azt 1gp2 2rh1
RMSD bond length	0.003
RMSD bond angle	0.709
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7_650))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.260
High resolution limit [Å]	3.200	3.200
Rmerge	0.156	0.553
Number of reflections	31685
<I/σ(I)>		1.81
Completeness [%]	91.2	53.9
Redundancy	6.5	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	6.5	293	350-450 mM potassium nitrate, 100 mM MES, 1 mM TCEP, 10 mM phosphonoformate, 0.01 mM BI167107, 18-22% PEG400. Crystals were grown in a 10:1 (w:w) MAG 7.7:cholesterol lipid mix. , pH 6.5, Lipidic cubic phase, temperature 293K
1	LIPIDIC CUBIC PHASE	6.5	293	350-450 mM potassium nitrate, 100 mM MES, 1 mM TCEP, 10 mM phosphonoformate, 0.01 mM BI167107, 18-22% PEG400. Crystals were grown in a 10:1 (w:w) MAG 7.7:cholesterol lipid mix. , pH 6.5, Lipidic cubic phase, temperature 293K