6DGJ

Cronobacter turicensis RpfR quorum-sensing receptor PAS domain in complex with BDSF

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	93
Detector technology	IMAGE PLATE
Collection date	2017-09-25
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54178
Spacegroup name	P 1 21 1
Unit cell lengths	39.932, 29.150, 41.554
Unit cell angles	90.00, 115.49, 90.00

Refinement procedure

Resolution	37.509 - 2.294
R-factor	0.2334
Rwork	0.228
R-free	0.28230
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.522
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	2.340
High resolution limit [Å]	2.294	6.240	2.294
Rmerge	0.206	0.082	0.618
Rmeas	0.239	0.098	0.719
Rpim	0.120	0.052	0.363
Number of reflections	4004	221	187
<I/σ(I)>	9.33
Completeness [%]	99.9	99.5	100
Redundancy	3.9	3.5	3.8
CC(1/2)	0.682	0.990	0.682

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	150 mM lithium citrate and 16% (vol/vol) PEG 3350