9EPN

Crystal structure of HprS histidine kinase cytoplasmic fragment from Escherichia coli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X13
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X13
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-11-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.976264
Spacegroup name	P 21 21 21
Unit cell lengths	64.890, 92.510, 118.160
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.420 - 1.700
R-factor	0.1898
Rwork	0.189
R-free	0.21730
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.037
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.800
High resolution limit [Å]	1.700	1.700
Number of reflections	78650	163275
<I/σ(I)>	18.26	1.16
Completeness [%]	99.7	98.8
Redundancy	13.4
CC(1/2)	0.998	0.730

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	90 mM sodium nitrate, 90 mM sodium phosphate dibasic, 90 mM ammonium sulfate, 1.2% CHAPS, 1.2% CHAPSO, 1.2% sodium glycocholate, 1.2% taurocholic acid, 40 mM imidazole pH 6.5, 60 mM MES pH 6.5, 20% ethylene glycol, 10% PEG 8000