6XYN

Crystal structure of a proteolytic fragment of NarQ comprising sensor and TM domains

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	2015-11-20
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9724
Spacegroup name	I 4
Unit cell lengths	51.283, 51.283, 182.988
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.380 - 2.300
R-factor	0.2507
Rwork	0.249
R-free	0.28480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5iji
RMSD bond length	0.004
RMSD bond angle	0.677
Data reduction software	XDS
Data scaling software	Aimless (0.3.11)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.380	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.064	0.554
Rmeas	0.073	0.632
Rpim	0.035	0.299
Number of reflections	10245	1015
<I/σ(I)>	13.2
Completeness [%]	97.8	99.8
Redundancy	4.3	4.4
CC(1/2)	0.999	0.772

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		295	1 M KH2PO4/Na2HPO4 pH 5.2 and 5 mM NaNO3