7KB3

The structure of a sensor domain of a histidine kinase (VxrA) from Vibrio cholerae O1 biovar eltor str. N16961, 2nd form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-16
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	112.085, 116.677, 120.747
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.070 - 2.250
R-factor	0.206
Rwork	0.205
R-free	0.22660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4r7q
RMSD bond length	0.001
RMSD bond angle	0.455
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.000	2.290
High resolution limit [Å]	2.250	2.250
Rmerge	0.051	0.803
Rpim	0.028	0.431
Number of reflections	75884	3763
<I/σ(I)>	25.9	1.33
Completeness [%]	99.6	99.9
Redundancy	4.3	4.4
CC(1/2)		0.716

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	296	0.1 M sodium acetate:HCl, 1.5 M ammonium chloride