3NEQ

Crystal structure of the chimeric muscarinic toxin MT7 with loop 3 from MT1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Collection date	2005-11-23
Detector	ADSC QUANTUM 315
Wavelength(s)	0.975598
Spacegroup name	P 21 21 21
Unit cell lengths	25.820, 56.578, 80.709
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.854 - 1.250
R-factor	0.1483
Rwork	0.147
R-free	0.16780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2vlw
RMSD bond length	0.007
RMSD bond angle	1.217
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.355	56.580	1.320
High resolution limit [Å]	1.250	3.950	1.250
Rmerge	0.145	0.091	0.950
Number of reflections	33683
<I/σ(I)>	12.1	21.3	3.9
Completeness [%]	100.0	99.8	100
Redundancy	13.7	12.6	13.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	5.5	277	Crystallization by evaporation using a screw cap eppendorf tube and allowing slow leaking through the rubber seal. Crystal stabilization is 1M ammonium sulfate, 5% methyl pentane diol before transfering to 80% saturated lithium sulfate as cryosalt and flash cooling in liquid ethane. pH 5.5, EVAPORATION, temperature 277K