4U16

M3-mT4L receptor bound to NMS

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	2013-03-16
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.033
Spacegroup name	C 1 2 1
Unit cell lengths	153.391, 187.180, 53.548
Unit cell angles	90.00, 99.78, 90.00

Refinement procedure

Resolution	33.670 - 3.700
R-factor	0.2409
Rwork	0.239
R-free	0.28460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4daj 4lzm
RMSD bond length	0.003
RMSD bond angle	0.597
Data scaling software	SCALEPACK
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.700	3.830
High resolution limit [Å]	3.700	3.700
Rmerge	0.219	0.884
Number of reflections	14787
<I/σ(I)>	8.9	2.2
Completeness [%]	93.7	89.1
Redundancy	2.6	2.5

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.