6CDW

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

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	PIXEL
Collection date	2017-09-09
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.0332
Spacegroup name	P 4 21 2
Unit cell lengths	105.730, 105.730, 37.310
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.284 - 1.840
R-factor	0.1803
Rwork	0.178
R-free	0.21420
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]	47.284	47.284	1.890
High resolution limit [Å]	1.840	8.230	1.840
Rmerge	0.124	0.050	1.838
Rmeas	0.128	0.052	1.902
Total number of observations	284030
Number of reflections	18961	268	1374
<I/σ(I)>	13.73	38.34	1.89
Completeness [%]	100.0	99.3	100
Redundancy	14.98	12.026	15.248
CC(1/2)	0.999	0.999	0.825

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	295	0.1 M MES pH 6.5, 0.2 M magnesium acetate tetrahydrate, 0.75 M NaCl and 16% (w/v) PEG 8000