9VA7

Crystal structure of legionella effector Lem17 in complex with IP6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-09-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 1 21 1
Unit cell lengths	150.439, 107.037, 171.610
Unit cell angles	90.00, 110.11, 90.00

Refinement procedure

Resolution	50.071 - 2.234
R-factor	0.2013
Rwork	0.201
R-free	0.23710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5yep
RMSD bond length	0.010
RMSD bond angle	1.375
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.071	2.314
High resolution limit [Å]	2.230	2.234
Rmerge	0.061
Rmeas	0.086
Rpim	0.061
Number of reflections	246144	241712
<I/σ(I)>	7.93
Completeness [%]	97.7
Redundancy	6.8
CC(1/2)	0.991	0.758

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289.15	0.1 M MES pH 6.2, 25% PEG200 and 5% PEG 3,000