7S7Y

Crystal structure of iCytSnFR Cytisine Sensor precursor binding protein

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	2019-07-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	41.688, 61.100, 58.546
Unit cell angles	90.00, 100.64, 90.00

Refinement procedure

Resolution	34.030 - 1.300
R-factor	0.1808
Rwork	0.180
R-free	0.20190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7s7t
RMSD bond length	0.005
RMSD bond angle	0.760
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]	34.030	1.346
High resolution limit [Å]	1.300	1.300
Rmerge	0.053	1.381
Rmeas	0.057	1.510
Rpim	0.022	0.599
Number of reflections	69428	6647
<I/σ(I)>	14.22	1.03
Completeness [%]	97.6	94.27
Redundancy	6.7	6
CC(1/2)	0.999	0.743

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	296	20% PEG 8,000 3% MPD 0.1 M Imidazole, pH 6.5