8U5F

Crystal Structure of Trypsinized Clostridium perfringens Enterotoxin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-25
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.033167
Spacegroup name	P 43 2 2
Unit cell lengths	200.330, 200.330, 254.780
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	66.777 - 2.320
R-factor	0.2241
Rwork	0.224
R-free	0.24770
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.553
Data reduction software	XDS (0.82)
Data scaling software	pointless
Phasing software	MoRDa
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	66.780	2.403
High resolution limit [Å]	2.320	2.320
Number of reflections	222147	16289
<I/σ(I)>	7.17	0.39
Completeness [%]	99.6
Redundancy	14.09
CC(1/2)	0.997	0.118

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	292.15	100 mM potassium phosphate monobasic, 100 mM MES monohydrate pH 6.5, and 2.0 M sodium chloride