6OB8

Crystal structure of a dual sensor histidine kinase in green light illuminated state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-14
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.987
Spacegroup name	P 43 21 2
Unit cell lengths	72.059, 72.059, 253.804
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.498 - 2.300
R-factor	0.2108
Rwork	0.208
R-free	0.25140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3w2z 4zyl
RMSD bond length	0.017
RMSD bond angle	1.150
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.190
High resolution limit [Å]	2.150	5.830	2.150
Rmerge	0.105	0.044	1.270
Rmeas	0.111	0.047	1.365
Rpim	0.037	0.017	0.494
Total number of observations	349196
Number of reflections	37588	2102	1832
<I/σ(I)>	8.3
Completeness [%]	99.9	98	100
Redundancy	9.3	7.9	7.6
CC(1/2)		0.998	0.655

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	PEG 3350, magnesium chloride, HEPES. Crystals grown in dark. Illuminated using green light at various temperature (100-293K)