4U14

Structure of the M3 muscarinic acetylcholine receptor bound to the antagonist tiotropium crystallized with disulfide-stabilized T4 lysozyme (dsT4L)

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	2013-06-10
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.033
Spacegroup name	P 41 21 2
Unit cell lengths	54.952, 54.952, 348.030
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.620 - 3.570
R-factor	0.2751
Rwork	0.272
R-free	0.32530
RMSD bond length	0.004
RMSD bond angle	0.561
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	31.620	31.620	3.700
High resolution limit [Å]	3.570	7.660	3.570
Rmerge	0.204	0.066	0.827
Total number of observations	19754
Number of reflections	6315
<I/σ(I)>	4	11.8	1.1
Completeness [%]	89.4	93.9	89.3
Redundancy	3.1	2.9	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	8.1	298	45% PEG 300, 110 mM ammonium sulfate, 113.5 mM lithium citrate, 100 mM Tris