7ERQ

The regulatory domain of YeiE, a sulfite sensing LysR-type transcriptional regulator from Cronobacter sakazakii (ligand-free 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	2021-04-02
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.97957
Spacegroup name	P 41 21 2
Unit cell lengths	63.074, 63.074, 236.864
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.280 - 1.950
R-factor	0.1999
Rwork	0.197
R-free	0.23900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7erp
RMSD bond length	0.005
RMSD bond angle	0.763
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	1.980
High resolution limit [Å]	1.950	1.950
Rmerge	0.051	0.606
Rpim	0.018	0.161
Number of reflections	35724	1625
<I/σ(I)>	28.17	2.54
Completeness [%]	99.1
Redundancy	12.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		287.15	0.1M Hydroxyethyl piperazineetahnesulfonic acid (HEPES) pH 7.5, 11% (v/v) PEG 10000, 6% (v/v) 2-Methyl-2,4-pentanediol (MPD), 50microM sodium selenite