7N0E

Co-complex of the histidine kinase region of RetS and the dimerization and histidine phosphotransfer domain of GacS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CMOS
Collection date	2019-03-20
Detector	RDI CMOS_8M
Wavelength(s)	0.97625
Spacegroup name	P 31 2 1
Unit cell lengths	103.360, 103.360, 61.960
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.690 - 2.300
R-factor	0.2486
Rwork	0.247
R-free	0.26620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6dk7
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.18_3855)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.760	44.760	2.370
High resolution limit [Å]	2.290	8.870	2.290
Rmerge	0.147	0.023	9.990
Rmeas	0.150	0.024	14.059
Rpim	0.033	0.005	3.045
Total number of observations	369869
Number of reflections	17507	341	1708
<I/σ(I)>	16.9
Completeness [%]	100.0	99.2	100
Redundancy	21.1	19.5	21.1
CC(1/2)	1.000	1.000	0.397

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295.15	0.2 M lithium sulfate, 0.1 M tris pH 8.5, 30% PEG 3350