5EP1

Quorum-Sensing Signal Integrator LuxO - Catalytic Domain

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	76.307, 76.307, 82.387
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.977 - 1.500
R-factor	0.1632
Rwork	0.162
R-free	0.18330
RMSD bond length	0.010
RMSD bond angle	1.145
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	0.057	0.046	0.336
Rmeas	0.061	0.050	0.362
Rpim	0.021	0.017	0.131
Total number of observations	338644
Number of reflections	43619
<I/σ(I)>	8.6
Completeness [%]	99.9	99.9	99.4
Redundancy	7.8	7.9	7
CC(1/2)		0.998	0.968

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	100 mM Tris buffer pH8.0, 4 M ammonium acetate