Experiment: 1ZGU

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	F1-filtered, F3-edited NOESY	[U-13C; U-15N]-Ubiquitin + hMms2 (4:1 ratio) 90% H20 : 10% D20	90% H20 : 10% D20	150 mM NaCl	7.5	1 atm	293
2	F1-filtered, F3-edited NOESY	[U-13C; U-15N]-hMms2 + Ubiquitin (1:4 ratio) 90% H20 : 10% D20	90% H20 : 10% D20	150 mM NaCl	7.5	1 atm	293

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Varian	INOVA	600
2	Varian	INOVA	800
3	Varian	INOVA	500

NMR Refinement
Method	Details	Software
protein-protein docking	HADDOCK algorithm	VNMR

NMR Ensemble Information
Conformer Selection Criteria	structures with the lowest energy
Conformers Calculated Total Number	50
Conformers Submitted Total Number	10
Representative Model	10 (lowest energy)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	collection	VNMR	6.1c	Varian, Inc.
2	processing	NMRPipe	2.3	Delaglio, F., Grzesiek, S., Vuister, G.W., Zhu, G., Pfeifer, J., Bax, A.
3	data analysis	Sparky	3.110	Goddard, T.D., Kneller, D.G.
4	structure solution	HADDOCK	1.3	Dominguez, C., Boelens, R., Bonvin, A.M.J.J.
5	refinement	HADDOCK	1.3	Dominguez, C., Boelens, R., Bonvin, A.M.J.J.

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.