6DGN

Cronobacter turicensis BDSF synthase RpfF in complex with the RpfR quorum-sensing receptor FI domain

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	2017-12-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	H 3 2
Unit cell lengths	144.939, 144.939, 116.910
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.840 - 1.999
R-factor	0.1699
Rwork	0.168
R-free	0.20120
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.593
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	2.030
High resolution limit [Å]	1.999	5.430	1.999
Rmerge	0.149	0.051	1.572
Rmeas	0.153	0.052	1.611
Rpim	0.034	0.011	0.350
Number of reflections	31951	1679	1573
<I/σ(I)>	17.54
Completeness [%]	100.0	99.9	100
Redundancy	20.2	21.3	21.1
CC(1/2)	0.825	1.000	0.825

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	293	100 mM sodium acetate (pH 5.6) and 250 mM ammonium phosphate dibasic