Experiment: 2FHM

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D_13C-separated_NOESY	0.5mM of 13C/15N-labeled YflL in 90% H2O/10% 2H2O buffer containing 50mM Tris HAc of pH 7.0, 0.01% sodium azide	90% H2O/10% D2O	50mM Tris-HAc	7.0	1 atm	298
2	3D_15N-separated_NOESY	0.5mM of 13C/15N-labeled YflL in 90% H2O/10% 2H2O buffer containing 50mM Tris HAc of pH 7.0, 0.01% sodium azide	90% H2O/10% D2O	50mM Tris-HAc	7.0	1 atm	298
3	HNHA	0.5mM of 13C/15N-labeled YflL in 90% H2O/10% 2H2O buffer containing 50mM Tris HAc of pH 7.0, 0.01% sodium azide	90% H2O/10% D2O	50mM Tris-HAc	7.0	1 atm	298

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	DRX	500
2	Bruker	DRX	600

NMR Refinement
Method	Details	Software
molecular dynamics		XwinNMR

NMR Ensemble Information
Conformer Selection Criteria	structures with the least restraint violations
Conformers Calculated Total Number	200
Conformers Submitted Total Number	20
Representative Model	1 (fewest violations)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	collection	XwinNMR	3.5
2	processing	NMRPipe
3	structure solution	CYANA
4	refinement	Amber

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 R01GM157729.