8U5E

Crystal Structure of C-terminal domain of Clostridium perfringens Enterotoxin in Space Group P 21 21 21

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-20
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.11583
Spacegroup name	P 21 21 21
Unit cell lengths	65.630, 64.000, 136.980
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.187 - 1.400
R-factor	0.1621
Rwork	0.161
R-free	0.20460
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.642
Data reduction software	XDS (0.82)
Data scaling software	pointless
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.187	1.450
High resolution limit [Å]	1.400	1.400
Number of reflections	186626	5803
<I/σ(I)>	9.55	0.29
Completeness [%]	89.0
Redundancy	2.19
CC(1/2)	0.999	0.125

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	292.15	100 mM sodium acetate pH 4.5, 200 mM sodium chloride, and 1.0 M ammonium sulphate