Experiment: 2KFG

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D 1H-15N HSQC	0.6 mM [U-99% 13C; U-99% 15N] EH domain of EHD1, 3 mM Rab11-FIP2 DPF peptide	90% H2O/10% D2O	0.1	7.0	ambient	298
2	2D 1H-13C HSQC	0.6 mM [U-99% 13C; U-99% 15N] EH domain of EHD1, 3 mM Rab11-FIP2 DPF peptide	90% H2O/10% D2O	0.1	7.0	ambient	298
3	3D HNCACB	0.6 mM [U-99% 13C; U-99% 15N] EH domain of EHD1, 3 mM Rab11-FIP2 DPF peptide	90% H2O/10% D2O	0.1	7.0	ambient	298
4	3D 1H-15N NOESY	0.6 mM [U-99% 13C; U-99% 15N] EH domain of EHD1, 3 mM Rab11-FIP2 DPF peptide	90% H2O/10% D2O	0.1	7.0	ambient	298
5	3D 1H-13C NOESY	0.6 mM [U-99% 13C; U-99% 15N] EH domain of EHD1, 3 mM Rab11-FIP2 DPF peptide	90% H2O/10% D2O	0.1	7.0	ambient	298
6	2D 13CFiltered-13CfilteredNOESY	0.6 mM [U-99% 13C; U-99% 15N] EH domain of EHD1, 3 mM Rab11-FIP2 DPF peptide	90% H2O/10% D2O	0.1	7.0	ambient	298
7	2D 13C-filtered-13C editedNOESY	0.6 mM [U-99% 13C; U-99% 15N] EH domain of EHD1, 3 mM Rab11-FIP2 DPF peptide	90% H2O/10% D2O	0.1	7.0	ambient	298
8	2D 13C-filtered-15N editedNOESY	0.6 mM [U-99% 13C; U-99% 15N] EH domain of EHD1, 3 mM Rab11-FIP2 DPF peptide	90% H2O/10% D2O	0.1	7.0	ambient	298
9	2D 15N filtered Noesy	0.6 mM [U-99% 13C; U-99% 15N] EH domain of EHD1, 3 mM Rab11-FIP2 DPF peptide	90% H2O/10% D2O	0.1	7.0	ambient	298

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

NMR Refinement
Method	Details	Software
simulated annealing		NMRView

NMR Ensemble Information
Conformer Selection Criteria	structures with the lowest energy
Conformers Calculated Total Number	30
Conformers Submitted Total Number	10
Representative Model	1 (lowest energy)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	data analysis	NMRView		Johnson, One Moon Scientific
2	processing	NMRPipe		Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax
3	data analysis	ProcheckNMR		Laskowski and MacArthur
4	collection	VNMR		Varian

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.