4U15

M3-mT4L receptor bound to 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]	80
Detector technology	CCD
Collection date	2012-12-14
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.033
Spacegroup name	C 1 2 1
Unit cell lengths	152.311, 184.563, 52.613
Unit cell angles	90.00, 98.54, 90.00

Refinement procedure

Resolution	28.477 - 2.800
R-factor	0.2316
Rwork	0.230
R-free	0.26140
RMSD bond length	0.003
RMSD bond angle	0.656
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.760
High resolution limit [Å]	2.700	6.640	2.700
Rmerge	0.129	0.057
Total number of observations	193093
Number of reflections	37934
<I/σ(I)>	8.6
Completeness [%]	96.4	93.9	93.2
Redundancy	5.1	5	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293	The best crystallization condition was 100 mM Tris pH 7.5, 44% PEG 300 and 400 mM ammonium tartrate.