1YZB

Solution structure of the Josephin domain of Ataxin-3

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D_13C-separated_NOESY	0.4mM of Josephin 15N, 13C; 20mM sodium phosphate buffer (pH 6.5); 90% H2O, 10% D2O	90% H2O/10% D2O	20mM sodium phosphate	6.5	ambient	298
2	3D_15N-separated_NOESY	0.4mM of Josephin 15N, 13C; 20mM sodium phosphate buffer (pH 6.5); 90% H2O, 10% D2O	90% H2O/10% D2O	20mM sodium phosphate	6.5	ambient	298

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Varian	INOVA	800
2	Varian	INOVA	600

NMR Refinement
Method	Details	Software
simulated annealing, torsion angle dynamics	the structures are based on a total of 5532 unambiguous and 927 ambiguous restraints, 114 dihedral angle restraints, 44 distance restraints from hydrogen bonds.	NMRPipe

NMR Ensemble Information
Conformer Selection Criteria	structures with the lowest energy
Conformers Calculated Total Number	100
Conformers Submitted Total Number	10
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	processing	NMRPipe	2000	Delaglio F.
2	structure solution	ARIA	1.2	Nilges M.
3	refinement	ARIA	1.2	Nilges M.

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.