7ERP

The regulatory domain of YeiE, a sulfite sensing LysR-type transcriptional regulator from Cronobacter sakazakii (sulfite-bound form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100.15
Detector technology	PIXEL
Collection date	2016-04-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97960
Spacegroup name	P 21 21 21
Unit cell lengths	83.360, 101.329, 109.502
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.280 - 2.030
R-factor	0.2686
Rwork	0.268
R-free	0.29710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	sequence based generated model
RMSD bond length	0.003
RMSD bond angle	0.618
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.070
High resolution limit [Å]	2.030	2.030
Rmerge	0.049	0.579
Rpim	0.026	0.188
Number of reflections	58388	2956
<I/σ(I)>	18.06	2.53
Completeness [%]	95.8	98.8
Redundancy	7.7	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		287.15	0.1M 2-(N-morpholino)ethanesulfonic acid (MES) pH 7.0, 6% (v/v) polyethylene glycol (PEG) 20000, 2mM Tris (2-carboxyethyl) phosphine (TCEP)