4DO8

Crystal structure of the muscarinic toxin MT1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-11-03
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.980000
Spacegroup name	C 1 2 1
Unit cell lengths	32.280, 116.040, 46.190
Unit cell angles	90.00, 108.01, 90.00

Refinement procedure

Resolution	35.020 - 1.802
R-factor	0.19472
Rwork	0.193
R-free	0.23377
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	RHO-DA1A (UNPUBLISHED)
RMSD bond length	0.026
RMSD bond angle	2.107
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.910
High resolution limit [Å]	1.800	5.370	1.800
Rmerge	0.094	0.062	0.729
Number of reflections	14793
<I/σ(I)>	10.67	20.48	2.5
Completeness [%]	98.9	93.4	96
Redundancy	4.06	3.78	3.96

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	Protein: 8.3 mg/mL in 0.05M sodium Acetate pH 5.5. Precipitant: 36% MPEG 2K, 0.1mM imidazole-HCl, .45M NaCl, 0.09M KSCN, VAPOR DIFFUSION, SITTING DROP, temperature 293K