6GCV

Ligand binding domain (LBD) of the p. aeruginosa nitrate receptor McpN

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	2017-10-21
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9724
Spacegroup name	C 1 2 1
Unit cell lengths	92.777, 87.949, 52.896
Unit cell angles	90.00, 93.05, 90.00

Refinement procedure

Resolution	46.320 - 1.300
R-factor	0.12673
Rwork	0.125
R-free	0.15325
Structure solution method	AB INITIO PHASING
RMSD bond length	0.013
RMSD bond angle	1.400
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	Arcimboldo
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.320	1.350
High resolution limit [Å]	1.300	1.300
Rmerge	0.032	0.374
Rmeas	0.039	0.466
Rpim	0.023	0.275
Number of reflections	88758	9541
<I/σ(I)>	14.98	2.38
Completeness [%]	85.4	92.43
Redundancy	2.7	2.7
CC(1/2)	0.999	0.837

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIQUID DIFFUSION	7.5	293	Capillary counterdiffusion method: C23: 0.82 M K-phosphate, 0.82 M Na-phosphate, 0.1 M Na-Hepes pH 7.50