7BVQ

Structure of human beta1 adrenergic receptor bound to carazolol

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	2018-04-09
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.000
Spacegroup name	P 1
Unit cell lengths	52.134, 52.825, 142.749
Unit cell angles	92.14, 90.71, 116.65

Refinement procedure

Resolution	19.790 - 2.500
R-factor	0.2269
Rwork	0.225
R-free	0.26330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2rh1
RMSD bond length	0.008
RMSD bond angle	0.819
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]	50.000	2.600
High resolution limit [Å]	2.500	2.500
Number of reflections	46879	5182
<I/σ(I)>	11.01
Completeness [%]	99.7
Redundancy	33.3
CC(1/2)	0.997	0.486

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293	100 mM Sodium citrate, pH 5, 150-170 mM lithium sulfate, 38-42% PEG300, 3% 1,3-butanediol