8W7P

Extracellular domain of a sensor histidine kinase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-02-03
Detector	DECTRIS EIGER R 4M
Wavelength(s)	1.0
Spacegroup name	P 1
Unit cell lengths	31.430, 61.824, 69.436
Unit cell angles	114.20, 87.43, 100.25

Refinement procedure

Resolution	34.150 - 1.800
R-factor	0.1608
Rwork	0.159
R-free	0.19560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold
RMSD bond length	0.008
RMSD bond angle	1.025
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.910
High resolution limit [Å]	1.800	1.800
Rmerge	0.056	0.361
Number of reflections	41520	6544
<I/σ(I)>	15.4
Completeness [%]	95.5
Redundancy	3.1
CC(1/2)	0.999	0.914

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	ammonium acetate, Tris