6OS1

Structure of synthetic nanobody-stabilized angiotensin II type 1 receptor bound to TRV023

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	60.670, 101.990, 227.590
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.403 - 2.794
R-factor	0.2412
Rwork	0.239
R-free	0.28220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6os2
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX ((1.14_3260))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.403	47.403	2.870
High resolution limit [Å]	2.790	12.490	2.790
Rmerge	0.206	0.058	1.882
Rmeas	0.217	0.062	1.984
Total number of observations	187653
Number of reflections	17795	234	1188
<I/σ(I)>	8.1	28.22	0.85
Completeness [%]	98.8	95.1	90.5
Redundancy	10.545	8.949	8.614
CC(1/2)	0.997	0.998	0.536

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, 50-70 mM MgCl2, 30% PEG 300, 2-4% 1,3-butanediol