1N4C

NMR Structure of the J-Domain and Clathrin Substrate Binding Domain of Bovine Auxilin

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D_15N-separated_NOESY	1.5mM Auxilin (20kD C-terminal construct) U-15N	90% H20, 10% D2O	60mM NaCl	4.5	ambient	300
2	3D_13C-separated_NOESY	1.5mM Auxilin (20kD C-terminal construct) U-15N,13C	90% H2O/10% D2O	60mM NaCl	4.5	ambient	300

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	DRX	600
2	Bruker	DMX	800

NMR Refinement
Method	Details	Software
distance geometry simulated annealing	Structure determined using 2810 distance restraints, 144 Phi and Psi dihedral restraints	NMRPipe

NMR Ensemble Information
Conformer Selection Criteria	structures with the lowest energy
Conformers Calculated Total Number	200
Conformers Submitted Total Number	20
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	processing	NMRPipe	2.1	Delaglio
2	refinement	X-PLOR	3.851	Brunger
3	data analysis	TALOS	1	Cornilescu
4	collection	XwinNMR	2.1	Bruker

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 R01GM133198.