7S7Z

Crystal structure of iAChSnFR Acetylcholine Sensor precursor binding protein with choline 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	2019-06-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	46.561, 65.666, 96.428
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.860 - 1.550
R-factor	0.1568
Rwork	0.155
R-free	0.19670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6v1r
RMSD bond length	0.005
RMSD bond angle	0.794
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]	38.860	1.605
High resolution limit [Å]	1.550	1.550
Rmerge	0.078	1.729
Rmeas	0.082	1.805
Rpim	0.023	0.510
Number of reflections	43622	4277
<I/σ(I)>	17.36	1.23
Completeness [%]	99.6	99.19
Redundancy	12.9	12.1
CC(1/2)	0.999	0.591

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.5	293	20% PEG 8,000 0.1M CHES, pH 9.5