2QUO

Crystal Structure of C terminal fragment of Clostridium perfringens enterotoxin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2007-02-10
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	37.626, 49.041, 69.078
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 1.750
R-factor	0.19891
Rwork	0.197
R-free	0.22900
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.296
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELX
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.810
High resolution limit [Å]	1.750	1.750
Rmerge	0.093	0.185
Number of reflections	13039
<I/σ(I)>	23.2
Completeness [%]	99.6	98.2
Redundancy	7.5	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	vapor diffusion, siting drop	8.3	293	0.8 M lithium sulfate monohydrate, 20% glycerol, Tris buffer, pH 8.3, vapor diffusion, siting drop, temperature 293K
1	vapor diffusion, siting drop	8.3	293	0.8 M lithium sulfate monohydrate, 20% glycerol, Tris buffer, pH 8.3, vapor diffusion, siting drop, temperature 293K