5ZK3

Crystal structure of rationally thermostabilized M2 muscarinic acetylcholine receptor bound with QNB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	100
Detector technology	CCD
Collection date	2016-07-19
Detector	RAYONIX MX225-HS
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	46.480, 58.800, 89.320
Unit cell angles	90.00, 99.00, 90.00

Refinement procedure

Resolution	45.908 - 2.600
R-factor	0.2438
Rwork	0.241
R-free	0.29090
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.418
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.760
High resolution limit [Å]	2.600	2.600
Number of reflections	14817
<I/σ(I)>	8.28
Completeness [%]	99.9
Redundancy	12.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293	50mM MES-NaOH pH 6.2-7.0, 26-32% PEG300, 300~500mM Ammonium Fluoride, 1% 1,2,3-heptanetriol, 0.5mM QNB and 5% DMSO