7FIT

Crystal structure of Wolbachia cytoplasmic incompatibility factor CidA from wMel

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-12-03
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97852
Spacegroup name	P 63
Unit cell lengths	109.882, 109.882, 79.087
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.740 - 2.750
R-factor	0.2039
Rwork	0.199
R-free	0.25430
Structure solution method	SAD
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AutoSol
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.800
High resolution limit [Å]	2.750	7.460	2.750
Rmerge	0.165	0.067	1.603
Rmeas	0.170	0.069	1.649
Rpim	0.041	0.018	0.383
Total number of observations	249034
Number of reflections	14273	742	692
<I/σ(I)>	5.6
Completeness [%]	99.9	99.1	100
Redundancy	17.4	15.3	18.5
CC(1/2)		0.999	0.846

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE		289.15	0.2M Sodium phosphate monobasic monohydrate, 20% w/v Polyethylene glycol 3350, pH 4.7