7ZP0

Crystal structure of CusS histidine kinase catalytic core from Escherichia coli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-11
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9184
Spacegroup name	P 1 21 1
Unit cell lengths	69.757, 129.095, 69.834
Unit cell angles	90.00, 92.09, 90.00

Refinement procedure

Resolution	36.628 - 1.398
R-factor	0.1773
Rwork	0.177
R-free	0.21860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2c2a
RMSD bond length	0.006
RMSD bond angle	1.058
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	36.628	36.628	1.480
High resolution limit [Å]	1.398	4.180	1.400
Rmerge		0.036
Rmeas		0.039
Number of reflections	240118	9123	38396
<I/σ(I)>	15.48	48.35	1.43
Completeness [%]	98.9	99	98.1
Redundancy	6.75	6.622
CC(1/2)	0.990	0.999	0.981

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291	7.5 % Tacsimate pH 7.0, 0.1 M HEPES pH 7.0, 10 % mmePEG 2000