7XK9

Structure of human beta2 adrenergic receptor bound to constrained isoproterenol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	80
Detector technology	PIXEL
Collection date	2018-07-15
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	49.600, 66.560, 302.720
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.960 - 3.400
R-factor	0.2268
Rwork	0.223
R-free	0.26140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4lde
RMSD bond length	0.004
RMSD bond angle	0.720
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.960	3.500
High resolution limit [Å]	3.400	3.400
Number of reflections	14451	1410
<I/σ(I)>	6.66
Completeness [%]	98.8	97.3
Redundancy	32	5.8
CC(1/2)	0.972	0.566

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293	100mM Tris-HCl, pH 8.0, 150-200mM lithium acetate, 43-45% PEG 400