7S80

Crystal structure of iAChSnFR Acetylcholine 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	2019-06-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	41.536, 60.816, 58.657
Unit cell angles	90.00, 100.52, 90.00

Refinement procedure

Resolution	33.900 - 1.400
R-factor	0.1705
Rwork	0.170
R-free	0.19530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7s7t
RMSD bond length	0.004
RMSD bond angle	0.746
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]	33.900	1.450
High resolution limit [Å]	1.400	1.400
Rmerge	0.061	1.209
Rmeas	0.067	1.312
Rpim	0.026	0.504
Number of reflections	55565	5503
<I/σ(I)>	12.83	1.23
Completeness [%]	98.1	97.79
Redundancy	6.7	6.6
CC(1/2)	0.998	0.776

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	296	25% PEG 1,500 0.1M MIB, pH 5.0