8U5D

Crystal Structure of C-terminal domain of Clostridium perfringens Enterotoxin in Space Group P 41 21 2

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	2016-12-19
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.11583
Spacegroup name	P 41 21 2
Unit cell lengths	65.120, 65.120, 130.770
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.700 - 1.600
R-factor	0.1975
Rwork	0.196
R-free	0.22260
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.248
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]	19.700	1.657
High resolution limit [Å]	1.600	1.600
Number of reflections	70024	5197
<I/σ(I)>	10.8	0.42
Completeness [%]	99.5
Redundancy	1.73
CC(1/2)	0.995	0.127

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 1.3 M ammonium sulphate