4R39

Histidine kinase domain from Erythrobacter litoralis EL346 blue-light activated histidine kinase

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	CCD
Collection date	2012-08-08
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97934
Spacegroup name	P 41 21 2
Unit cell lengths	120.503, 120.503, 192.304
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.250 - 2.603
R-factor	0.185
Rwork	0.183
R-free	0.22080
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	0.899
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELXD
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.640
High resolution limit [Å]	2.600	7.050	2.600
Rmerge	0.095	0.031	0.835
Number of reflections	43630
Completeness [%]	98.7	94	99.4
Redundancy	4.7	4.4	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	8% PEG 8000, 0.2 M sodium chloride, 0.1 M sodium cacodylate , pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
2	VAPOR DIFFUSION, HANGING DROP	7	293	6% PEG 8000, 0.2 M magnesium chloride, 0.1 M Tris, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K