2J42

low quality crystal structure of the transport component C2-II of the C2-toxin from Clostridium botulinum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	CCD
Detector	MARRESEARCH
Spacegroup name	P 43 21 2
Unit cell lengths	104.400, 104.400, 153.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 3.130
R-factor	0.4127
Rwork	0.413
R-free	0.43260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1acc
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	TNT (BUSTER/TNT)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	3.220
High resolution limit [Å]	3.100	3.130
Rmerge	0.080	0.440
Number of reflections	15486
<I/σ(I)>	21.5	5.7
Completeness [%]	99.6	100
Redundancy	9.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		4.6		PROTEIN: 3 MG/ML IN H2O RESERVOIR: 0.1 M SODIUM ACETATE PH 4.6, 1.5 M (NH4)2SO4, 5 % ISOPROPANOL, 3 % ETHANOL