7BU7

Structure of human beta1 adrenergic receptor bound to BI-167107 and nanobody 6B9

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	2018-02-04
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.000
Spacegroup name	C 1 2 1
Unit cell lengths	377.980, 66.220, 47.860
Unit cell angles	90.00, 93.88, 90.00

Refinement procedure

Resolution	19.980 - 2.600
R-factor	0.245
Rwork	0.243
R-free	0.26980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4lde
RMSD bond length	0.017
RMSD bond angle	1.191
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	2.700
High resolution limit [Å]	2.600	2.600
Number of reflections	35466	3325
<I/σ(I)>	4.66	0.9
Completeness [%]	96.7	85
Redundancy	6.64
CC(1/2)	0.991	0.451

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293	100mM HEPES, pH 7.5, 100-175mM (NH4)2SO4, 38-43% PEG400, 0.15M-0.2M Glycine