6TAO

The cytotoxin MakE from Vibrio cholerae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-13
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.87313
Spacegroup name	P 1 21 1
Unit cell lengths	56.929, 94.936, 63.636
Unit cell angles	90.00, 110.35, 90.00

Refinement procedure

Resolution	49.175 - 1.980
R-factor	0.1794
Rwork	0.177
R-free	0.23500
Structure solution method	SAD
Data reduction software	XDS
Data scaling software	Aimless (0.7.3)
Phasing software	CRANK2
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.175	49.170	2.050
High resolution limit [Å]	1.980	7.670	1.980
Rmerge	0.097	0.031	1.134
Rmeas	0.110	0.036	1.291
Rpim	0.051	0.016	0.608
Total number of observations		3396	18789
Number of reflections	44118	787	4288
<I/σ(I)>	9.6	35.9	1.2
Completeness [%]	99.9	98.9	100
Redundancy	4.5	4.3	4.4
CC(1/2)	0.998	0.999	0.560

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.6	293	10 mM Nickel chloride, 0.1 M Tris pH 8.5, 20% PEG2000MME