6T8D

The cytotoxin MakB from Vibrio cholerae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-30
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.873
Spacegroup name	P 21 21 21
Unit cell lengths	53.287, 54.230, 120.810
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	60.405 - 2.100
R-factor	0.2177
Rwork	0.215
R-free	0.26120
Structure solution method	SAD
Data reduction software	XDS
Data scaling software	Aimless (0.3.11)
Phasing software	Auto-Rickshaw
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	120.810	120.810	2.160
High resolution limit [Å]	2.100	8.910	2.100
Rmerge	0.104	0.065	0.941
Rmeas	0.113	0.072	1.024
Rpim	0.045	0.031	0.399
Total number of observations		1669	10975
Number of reflections	21126	322	1698
<I/σ(I)>	9	21.9	1.9
Completeness [%]	99.8	97.4	99.5
Redundancy	6.5	5.2	6.5
CC(1/2)	0.995	0.990	0.816

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	1.5 M MgSO4, 0.1 M MES pH 6.5