6DO1

Structure of nanobody-stabilized angiotensin II type 1 receptor bound to S1I8

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]	80
Detector technology	PIXEL
Collection date	2018-03-24
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.033
Spacegroup name	P 21 21 2
Unit cell lengths	135.682, 227.796, 41.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.618 - 2.901
R-factor	0.3082
Rwork	0.304
R-free	0.35930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4yay 3p0g
RMSD bond length	0.003
RMSD bond angle	0.912
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.600	3.080
High resolution limit [Å]	2.900	2.900
Rmerge		1.457
Rmeas	0.410	1.697
Number of reflections	29111	4662
<I/σ(I)>	2.1	0.9
Completeness [%]	98.5	99.3
Redundancy	3.6	3.6
CC(1/2)	0.962	0.562

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	8	293.15	Protein was reconstituted with a 10:1 (w:w) mix of monoolein and cholesterol. Crystals were grown in cubic phase sandwich plates with using 100 mM Tris pH 8.0, 15-25 mM MgCl2, and 28-29% PEG 300