7S7T

iNicSnFR3a Nicotine Sensor comprising Periplasmic Binding sequence plus Fluorescent Sequence 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	2019-02-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.7711
Spacegroup name	P 61
Unit cell lengths	190.366, 190.366, 49.742
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.870 - 3.200
R-factor	0.1901
Rwork	0.187
R-free	0.21880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6efr
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.870	3.318
High resolution limit [Å]	3.200	3.203
Rpim	0.032	0.611
Number of reflections	17371	1669
<I/σ(I)>	17.7	1.07
Completeness [%]	99.5	96.4
Redundancy	19.3	18.7
CC(1/2)	0.999	0.666

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	20% PEG 3,350 0.2 M Sodium malonate, pH 8.0 0.1 M Bistrispropane, pH 8.5