5EP4

Structure, Regulation, and Inhibition of the Quorum-Sensing Signal Integrator LuxO

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F1
Synchrotron site	CHESS
Beamline	F1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-10-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9782
Spacegroup name	P 61
Unit cell lengths	73.690, 73.690, 81.792
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	14.951 - 1.500
R-factor	0.1563
Rwork	0.155
R-free	0.18230
RMSD bond length	0.016
RMSD bond angle	1.665
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	PHENIX (1.10-2155_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.000	35.000	1.530
High resolution limit [Å]	1.500	4.070	1.500
Rmerge	0.058	0.038	0.806
Rmeas	0.062	0.041	0.866
Rpim	0.022	0.014	0.315
Total number of observations	311193
Number of reflections	40275
<I/σ(I)>	7.1
Completeness [%]	100.0	99.9	100
Redundancy	7.7	7.8	7.4
CC(1/2)		0.999	0.906

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	0.1 M Tris pH 8.0, 0.25 M sodium chloride, 25% w/v PEG3350