6OAP

Crystal structure of a dual sensor histidine kinase in the green-light absorbing Pg 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	2017-02-21
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.979
Spacegroup name	P 43 21 2
Unit cell lengths	72.532, 72.532, 254.734
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.266 - 1.970
R-factor	0.1841
Rwork	0.182
R-free	0.23750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3w2z 4zyl
RMSD bond length	0.013
RMSD bond angle	1.385
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	2.000
High resolution limit [Å]	1.970	5.350	1.970
Rmerge	0.071	0.038	1.139
Rmeas	0.074	0.039	1.197
Rpim	0.020	0.011	0.360
Number of reflections	47992	2721	2336
<I/σ(I)>	6
Completeness [%]	97.2	97.8	97.2
Redundancy	13	12.9	10.7
CC(1/2)		0.999	0.680

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	PEG 3350, magnesium chloride, HEPES. Crystals grown in dark