2DOS

Structural basis for the recognition of Lys48-linked polyubiquitin chain by the Josephin domain of ataxin-3, a putative deubiquitinating enzyme

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D_13C-separated_NOESY	1.2mM Josephin domain U-15N,13C; 10mM Sodium phosphate buffer; 90% H2O, 10% D2O	90% H2O/10% D2O	10mM Sodium phosphate buffer	7.0	1 atm	303
2	3D_15N-separated_NOESY	1.2mM Josephin domain U-15N,13C; 10mM Sodium phosphate buffer; 90% H2O, 10% D2O	90% H2O/10% D2O	10mM Sodium phosphate buffer	7.0	1 atm	303
3	2D NOESY	1.2mM Josephin domain U-15N,13C; 10mM Sodium phosphate buffer; 99% D2O	99% D2O	10mM Sodium phosphate buffer	7.0	1 atm	303

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	JEOL	ECA	920
2	Bruker	Avance	600
3	Bruker	DMX	500

NMR Refinement
Method	Details	Software
distance geometry, simulated annealing		XWINNMR

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)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	collection	XWINNMR	2.6
2	processing	NMRPipe	2.3	Delaglio
3	structure solution	CYANA	2.1	Guntert
4	collection	DELTA	4.3.3
5	refinement	CYANA	2.1	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.