6YUE

Fragment of nitrate/nitrite sensor histidine kinase NarQ (R50S variant)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-03-04
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9724
Spacegroup name	F 2 2 2
Unit cell lengths	57.933, 73.702, 236.166
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.700 - 2.400
R-factor	0.2885
Rwork	0.285
R-free	0.36740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5iji
RMSD bond length	0.003
RMSD bond angle	0.580
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.700	2.595
High resolution limit [Å]	2.400	2.400
Number of reflections	6860	490
<I/σ(I)>	10.1	3.2
Completeness [%]	87.1	56.8
Redundancy	4.6	5.7
CC(1/2)	0.998	0.843

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		295	1.2 M KH2PO4/Na2HPO4 pH 4.6