6CGK

Structure of the HAD domain of effector protein Lem4 (lpg1101) from Legionella pneumophila (inactive mutant)with phosphate bound in the active site

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2017-04-05
Detector	RAYONIX MX225HE
Wavelength(s)	0.9793
Spacegroup name	P 4 21 2
Unit cell lengths	105.627, 105.627, 36.255
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.238 - 1.668
R-factor	0.1901
Rwork	0.188
R-free	0.22640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6cgj
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	52.814	52.814	1.674
High resolution limit [Å]	1.668	7.734	1.668
Rmerge	0.087	0.039	1.359
Rmeas	0.090	0.042	1.408
Rpim	0.024	0.013	0.367
Total number of observations	351125
Number of reflections	24546	295	232
<I/σ(I)>	19.7
Completeness [%]	100.0	95.2	97.1
Redundancy	14.3	10.3	14.4
CC(1/2)	0.999	0.999	0.915

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.1 M Bis-Tris 6.5, 22% PEG 3350, 0.2 M Mg acetate, 0.6 M NaCl