Experiment: 2NPU

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D_13C-separated_NOESY	0.1 mM FRB domain U-15N,13C; '25mM phosphate buffer; 90% H2O, 10% D2O	90% H2O/10% D2O	100mM	7.0	ambient	298
2	3D_15N-separated_NOESY	0.1 mM FRB domain U-15N; 25mM phosphate buffer, 90% H2O, 10% D2O	90% H2O/10% D2O	100mM	7.0	ambient	298
3	3D_13C-separated_NOESY	0.1 mM FRB domain U-15N,13C with unlabelled aromatics; 25mM phosphate buffer, 90% H2O, 10% D2O	90% H2O/10% D2O	100mM	7.0	ambient	298

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	AVANCE	600

NMR Refinement
Method	Details	Software
torsion angle dynamics		XwinNMR

NMR Ensemble Information
Conformer Selection Criteria	structures with the least restraint violations
Conformers Calculated Total Number	100
Conformers Submitted Total Number	32
Representative Model	1 (closest to the average)

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

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	collection	XwinNMR	3.1
2	processing	NMRPipe		Delaglio
3	data analysis	Sparky		Goddard
4	refinement	CYANA		Guntert

RCSB PDB Core Operations are funded by the National Science Foundation (DBI-1832184), 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.