8DVQ

CA domain of VanSA histidine kinase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-04-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.92009
Spacegroup name	P 21 21 2
Unit cell lengths	69.830, 94.400, 29.770
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.690 - 2.190
R-factor	0.192
Rwork	0.190
R-free	0.23620
Structure solution method	SAD
RMSD bond length	0.011
RMSD bond angle	1.261
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX (1.14_3260)
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.700	2.270
High resolution limit [Å]	2.190	2.190
Rmerge	0.090
Rmeas	0.096
Rpim	0.033
Number of reflections	10676	1031
<I/σ(I)>	13
Completeness [%]	99.7	98
Redundancy	8.55
CC(1/2)	0.999	0.849

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	8.2	291	Protein and precipitant were mixed in a volume ratio of 1:2 and incubated under Als Oil at 291K; the precipitant solution was obtained from the Berkeley Screen and contained 75 mM Bis-Tris Propane, 25 mM citric acid, pH 8.2, 20 mM CdCl2, and 25 (w-v) PEG 400.