5CXV

Structure of the human M1 muscarinic acetylcholine receptor bound to antagonist Tiotropium

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]	78
Detector technology	CCD
Collection date	2011-11-11
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.033
Spacegroup name	P 21 21 21
Unit cell lengths	58.053, 72.186, 175.688
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.700
R-factor	0.23384
Rwork	0.231
R-free	0.28204
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0107)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.800
High resolution limit [Å]	2.700	5.800	2.700
Rmerge	0.155	0.109	0.836
Total number of observations	87751
Number of reflections	20402
<I/σ(I)>	7
Completeness [%]	97.1	94.2	98.2
Redundancy	4.3	4.1	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293	33% PEG 300, 100 mM sodium acetate, and 100 mM Bis-Tris Propane (pH 8.0)