7T84

Structure of angiotensin II type I receptor (AT1R) nanobody antagonist AT118i4h32 G26D T57I variant

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	2021-10-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.033
Spacegroup name	P 1 21 1
Unit cell lengths	78.664, 89.190, 83.105
Unit cell angles	90.00, 110.05, 90.00

Refinement procedure

Resolution	46.320 - 1.600
R-factor	0.1651
Rwork	0.165
R-free	0.18980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7t83
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.19.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.320	46.320	1.690
High resolution limit [Å]	1.600	4.770	1.600
Rmerge	0.089	0.041	1.591
Rmeas	0.097	0.045	1.717
Total number of observations	956709
Number of reflections	140577	5481	22287
<I/σ(I)>	13.3	41.05	1.55
Completeness [%]	98.4	99.3	96.8
Redundancy	6.806	6.325	7.001
CC(1/2)	0.999	0.998	0.597

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.4	293	130% PEG 3350, 280 mM lithium citrate tribasic