6P7T

Crystal structure of apo ToxT K231A from Vibrio cholerae strain SCE256

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979
Spacegroup name	C 1 2 1
Unit cell lengths	79.800, 45.500, 77.000
Unit cell angles	90.00, 97.70, 90.00

Refinement procedure

Resolution	26.550 - 2.500
R-factor	0.2497
Rwork	0.245
R-free	0.28670
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.550	2.589
High resolution limit [Å]	2.500	2.500
Rmerge	0.083	0.697
Rmeas	0.090	0.757
Rpim	0.035	0.292
Number of reflections	9665	960
<I/σ(I)>	12.35	2.81
Completeness [%]	99.8	99.69
Redundancy	6.7	6.6
CC(1/2)	0.997	0.859

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M Sodium citrate tribasic dihydrate, 20% w/v Polyethylene glycol 3,350