2D1U

Solution structure of the periplasmic signaling domain of FecA from Escherichia coli

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D_15N-separated_ROESY	1mM NTFecA U-15N; 50mM phosphate buffer; 90% H20, 10% D2O	90% H20, 10% D2O	50mM sodium phosphate	6	AMBIENT	298
2	3D_13C-separated_NOESY	1mM NTFecA U-15N, 13C; 50mM phosphate buffer pH6; 90% H20, 10% D2O	90% H20, 10% D2O	50mM sodium phosphate	6	AMBIENT	298
3	2D NOESY	1mM NTFecA U-15N; 50mM phosphate buffer; 100% D2O	100% D2O	50mM sodium phosphate	6	AMBIENT	298

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	AVANCE	500

NMR Ensemble Information
Conformer Selection Criteria	target function
Conformers Calculated Total Number	200
Conformers Submitted Total Number	20
Representative Model	1 (lowest energy)

Additional NMR Experimental Information
Details	The structure was determined using triple-resonance NMR spectroscopy

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	structure solution	CYANA	2.0	Peter Guntert
2	refinement	CYANA	2.0	Peter Guntert
3	data analysis	NMRView	5.0.4	Bruce johnson
4	processing	NMRPipe	2.3 rev 2004.194.17.02	Frank delaglio
5	collection	XwinNMR	3.0	Bruker

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM133198.