6WJC

Muscarinic acetylcholine receptor 1 - muscarinic toxin 7 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.033
Spacegroup name	C 1 2 1
Unit cell lengths	122.148, 150.429, 76.927
Unit cell angles	90.00, 98.77, 90.00

Refinement procedure

Resolution	44.110 - 2.550
R-factor	0.2453
Rwork	0.244
R-free	0.26260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5cxv 2vlw
Data reduction software	XDS (VERSION Jan 26, 2018)
Data scaling software	Aimless (0.7.3)
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX (1.17_3644)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.310	46.310	2.650
High resolution limit [Å]	2.550	9.540	2.550
Rmerge	0.040	0.020	1.093
Rmeas	0.048	0.024	1.291
Rpim	0.026	0.013	0.682
Total number of observations	149894	2639	16394
Number of reflections	44412	823	4664
<I/σ(I)>	12.4	35.8	1.2
Completeness [%]	99.4	94	99.9
Redundancy	3.4	3.2	3.5
CC(1/2)	0.999	0.999	0.649

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	22-27% SOKALAN, HEPES(7.5), 0.1M NaCl