6CGJ

Structure of the HAD domain of effector protein Lem4 (lpg1101) from Legionella pneumophila

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-05-29
Detector	RAYONIX MX-300
Wavelength(s)	0.9801
Spacegroup name	P 4 21 2
Unit cell lengths	105.830, 105.830, 31.680
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.329 - 1.750
R-factor	0.16
Rwork	0.158
R-free	0.19790
Structure solution method	SAD
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELXD
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.329	47.329	1.800
High resolution limit [Å]	1.750	7.830	1.750
Rmerge	0.067	0.045	0.361
Rmeas	0.070	0.047	0.380
Total number of observations	253049
Number of reflections	18738	264	1306
<I/σ(I)>	25.28	46.89	5.74
Completeness [%]	99.7	99.2	96.7
Redundancy	13.505	11.125	9.784
CC(1/2)	0.999	0.998	0.974

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.1 M MES 6.5, 0.2 M Magnesium acetate, 18% (w/v) PEG 8000