7FDF

The E145S mutant of the regulatory domain of YeiE, a sulfite sensing LysR-type transcriptional regulator from Cronobacter sakazakii (sulfate-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	2021-07-13
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1
Spacegroup name	P 61 2 2
Unit cell lengths	60.146, 60.146, 213.523
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.590 - 2.050
R-factor	0.1956
Rwork	0.193
R-free	0.22060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7erp
RMSD bond length	0.002
RMSD bond angle	0.431
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.090
High resolution limit [Å]	2.050	2.050
Rmeas	0.083	0.429
Rpim	0.016	0.087
Number of reflections	14880	685
<I/σ(I)>	36.43	5.625
Completeness [%]	97.1	89.8
Redundancy	22.2
CC(1/2)	1.000	0.955

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		287.15	0.1M HEPES pH 7.5, 0.2M MgCl2, 19% (v/v) PEG 3350