6DK7

RetS histidine kinase region with cobalt

Experimental procedure

Experimental method	MAD
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	2017-08-04
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.97881, 0.9751
Spacegroup name	P 41 21 2
Unit cell lengths	158.708, 158.708, 243.826
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	56.779 - 2.600
R-factor	0.2123
Rwork	0.211
R-free	0.26060
Structure solution method	MAD
RMSD bond length	0.006
RMSD bond angle	0.838
Data reduction software	xia2
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.890	2.693
High resolution limit [Å]	2.600	2.600
Rmerge		0.745
Number of reflections	96240	13834
<I/σ(I)>	9.3
Completeness [%]	99.9	99.9
Redundancy	14.3	12.6
CC(1/2)	0.997	0.273

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	sodium chloride, HEPES, cobalt chloride
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	sodium chloride, HEPES, cobalt chloride