8H70

Crystal structure of the catalytic ATP-binding domain of the PhoR sensor histidine kinase from Vibrio cholera

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-02
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1
Spacegroup name	C 2 2 21
Unit cell lengths	42.258, 90.953, 87.521
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.480 - 1.880
R-factor	0.2086
Rwork	0.206
R-free	0.22880
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.873
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PARROT
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.480	1.990
High resolution limit [Å]	1.880	1.880
Number of reflections	94388	4275
<I/σ(I)>	7.51
Completeness [%]	99.6
Redundancy	3.5
CC(1/2)	0.997	0.492

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291	NaCl, BICINE, PEG 300