6OS2

Structure of synthetic nanobody-stabilized angiotensin II type 1 receptor bound to TRV026

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]	100
Detector technology	PIXEL
Collection date	2018-11-21
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.033
Spacegroup name	I 2 2 2
Unit cell lengths	59.960, 101.350, 225.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.910 - 2.700
R-factor	0.2376
Rwork	0.233
R-free	0.28520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6do1
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.17)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.910	46.910	2.770
High resolution limit [Å]	2.700	12.060	2.700
Rmerge	0.202	0.044	2.053
Rmeas	0.217	0.048	2.214
Total number of observations	144683
Number of reflections	19466	255	1390
<I/σ(I)>	6.87	27.95	0.66
Completeness [%]	99.7	97	97.7
Redundancy	7.433	6.42	6.913
CC(1/2)	0.996	0.999	0.453

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	8	293	Protein complex was reconstituted with a 10:1 (w/w) mixture of monoolein and cholesterol. Crystals were grown in 100 mM Tris pH 8, 65 mM MgCl2, 26-28% PEG 300, 4.5% 1,3-butanediol