6DGG

Cronobacter turicensis RpfR quorum-sensing receptor PAS domain in complex with C12:0

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	93
Detector technology	PIXEL
Collection date	2016-12-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.88557
Spacegroup name	P 1 21 1
Unit cell lengths	39.682, 29.131, 41.493
Unit cell angles	90.00, 115.29, 90.00

Refinement procedure

Resolution	37.517 - 1.498
R-factor	0.1498
Rwork	0.147
R-free	0.17430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5iu1
RMSD bond length	0.005
RMSD bond angle	0.893
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.530
High resolution limit [Å]	1.498	4.070	1.498
Rmerge	0.065	0.038	0.221
Rmeas	0.078	0.046	0.269
Rpim	0.042	0.025	0.152
Number of reflections	13614	726	650
<I/σ(I)>	9.09
Completeness [%]	97.2	96.7	92.3
Redundancy	3.2	3.3	2.7
CC(1/2)	0.928	0.997	0.928

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.75	293	200 mM sodium formate, 18% (vol/vol) PEG 3350, 100 mM HEPES (pH 7.75), 1mM BDSF and 0.62% (vol/vol) DMSO