6DGA

Cronobacter turicensis RpfR quorum-sensing receptor RpfF interaction domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	93
Detector technology	CCD
Collection date	2016-06-16
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	1.18076
Spacegroup name	P 21 21 2
Unit cell lengths	54.976, 53.639, 28.197
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.197 - 1.190
R-factor	0.1637
Rwork	0.161
R-free	0.19330
RMSD bond length	0.006
RMSD bond angle	0.865
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	1.210
High resolution limit [Å]	1.190	3.230	1.190
Rmerge	0.067	0.048	0.489
Rmeas	0.073	0.052	0.542
Rpim	0.028	0.021	0.229
Total number of observations	180595
Number of reflections	26581	1432	1209
<I/σ(I)>	13.6
Completeness [%]	96.7	93.8	90
Redundancy	6.8	6.2	4.7
CC(1/2)		0.998	0.889

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	75 mM NaH2PO4, 20% (vol/vol) PEG 3350, 1 mM BDSF, and 0.62% (vol/vol) DMSO