6KP6

The structural study of mutation induced inactivation of Human muscarinic receptor M4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-01-30
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	56.100, 61.320, 203.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.140 - 3.000
R-factor	0.233
Rwork	0.231
R-free	0.26400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5dsg
RMSD bond length	0.008
RMSD bond angle	0.940
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.140	49.140	3.080
High resolution limit [Å]	3.000	13.420	3.000
Rmerge	0.116	0.062	0.586
Rmeas	0.118	0.064	0.637
Total number of observations	398969
Number of reflections	14718	201	1041
<I/σ(I)>	19.32	60.29	2.3
Completeness [%]	99.7	97.1	97
Redundancy	27.108	32.393	6.028
CC(1/2)	0.996	0.995	0.379

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	7.8	293.15	300 mM diammonium hydrogen phosphate, 22-26% PEG 300, 0.1M HEPES sodium pH 7.6-8.2