7S7X

Crystal structure of iCytSnFR Cytisine Sensor precursor binding protein with varenicline bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-07-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	64.471, 99.910, 135.919
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.920 - 1.700
R-factor	0.171
Rwork	0.170
R-free	0.20780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7s7t
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.920	1.761
High resolution limit [Å]	1.700	1.700
Rmerge	0.035	0.463
Rmeas	0.049	0.655
Rpim	0.035	0.463
Number of reflections	96997	9392
<I/σ(I)>	8.23	1.38
Completeness [%]	99.7	98.54
Redundancy	2	2
CC(1/2)	0.999	0.655

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.5	296	0.1 M CHES, pH 9.5 20% PEG 8,000