7FIU

Crystal structure of the DUB domain of Wolbachia cytoplasmic incompatibility factor CidB from wMel

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-03-18
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	48.110, 60.590, 85.550
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.450 - 1.840
R-factor	0.2105
Rwork	0.209
R-free	0.23810
Structure solution method	SAD
Data scaling software	xia2
Phasing software	AutoSol
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.450	49.450	1.890
High resolution limit [Å]	1.840	8.230	1.840
Rmerge	0.081	0.056	1.063
Rmeas	0.086	0.061	1.126
Rpim	0.029	0.022	0.369
Total number of observations	190236	1973	14513
Number of reflections	22187	302	1590
<I/σ(I)>	14.3	26.5	2.1
Completeness [%]	99.4	98.9	98.6
Redundancy	8.6	6.5	9.1
CC(1/2)	0.998	0.996	0.680

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291.15	10mM Nickel (II) Chloride hexahydrate, 100mM TRIS pH 8.5, 20% w/v Polyethylene Glycol Monomethyl Ether 2000