8JWD

Histidine kinase QseE sensor domain of Escherichia coli O157:H7

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-01-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	31.885, 39.479, 86.997
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.500 - 1.330
R-factor	0.1457
Rwork	0.144
R-free	0.17400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.859
Data reduction software	XDS
Data scaling software	Aimless (1.12.14)
Phasing software	MOLREP
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.500	1.350
High resolution limit [Å]	1.330	1.330
Rmerge	0.064	0.680
Rmeas	0.065	0.704
Rpim	0.015	0.185
Number of reflections	25729	1183
<I/σ(I)>	29.7	4.1
Completeness [%]	98.9	95.2
Redundancy	18.9	13.5
CC(1/2)	1.000	0.933

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.15 M sodium formate, 0.1 M HEPES pH 7.2, 18% (w/v) polyethylene glycol 3350