7T83

Structure of angiotensin II type I receptor (AT1R) nanobody antagonist AT118i4h32

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.033
Spacegroup name	P 1 21 1
Unit cell lengths	80.110, 85.400, 84.440
Unit cell angles	90.00, 108.64, 90.00

Refinement procedure

Resolution	31.480 - 2.100
R-factor	0.2094
Rwork	0.208
R-free	0.25660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1yc7
RMSD bond length	0.002
RMSD bond angle	0.442
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	31.500	31.500	2.220
High resolution limit [Å]	2.100	6.240	2.100
Rmerge	0.068	0.044	1.563
Rmeas	0.074	0.048	1.693
Number of reflections	62725	2470	10010
<I/σ(I)>	12.05	37.61	0.96
Completeness [%]	98.9	98.9	97.8
Redundancy	6.828	6.439	6.762
CC(1/2)	0.998	0.997	0.724

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.6	293	16% PEG 4000, 10% isopropanol, 0.1 M sodium citrate pH 5.6