Experiment: 1R4T

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D NOESY	0.5-1.2 mM exos [U-95% 13C; U-90% 15N]50mM phosphate buffer	90% H2O/10% D2O	0.05	7.4	ambient	298
2	2D NOESY	0.5-1.2 mM exos [U-95% 13C; U-90% 15N]50mM phosphate buffer	90% H2O/10% D2O	0.05	7.4	ambient	298
3	3D_13C-separated_NOESY	0.5-1.2 mM exos [U-95% 13C; U-90% 15N]50mM phosphate buffer	90% H2O/10% D2O	0.05	7.4	ambient	298
4	3D_15N-separated_NOESY	0.5-1.2 mM exos [U-95% 13C; U-90% 15N]50mM phosphate buffer	90% H2O/10% D2O	0.05	7.4	ambient	298
5	2D TOCSY	0.5-1.2 mM exos [U-95% 13C; U-90% 15N]50mM phosphate buffer	90% H2O/10% D2O	0.05	7.4	ambient	298
6	3D_15N-separated_NOESY	0.5-1.2 mM exos [U-95% 13C; U-90% 15N]50mM phosphate buffer	90% H2O/10% D2O	0.05	7.4	ambient	298

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	DRX	600
2	Bruker	DRX	750

NMR Refinement
Method	Details	Software
torsion angle dynamics		XwinNMR

NMR Ensemble Information
Conformer Selection Criteria	structures with acceptable covalent geometry,structures with favorable non-bond energy
Conformers Calculated Total Number	71
Conformers Submitted Total Number	23
Representative Model	1 (fewest violations,lowest energy)

Additional NMR Experimental Information
Details	This structure was determined using standard 3D homonuclear techniques.

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	collection	XwinNMR	2.6	Bruker
2	data analysis	Sparky	3.106	Goddard and Kneller
3	processing	XwinNMR	2.6	Bruker
4	structure solution	DYANA	1.6	Guentert
5	refinement	Amber	7	Case

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.