Experiment: 1G2T

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D_15N-separated_NOESY	2 mM eotaxin-3,U-15N, 20mM sodium acetate (deteurated), 90% H2O, 10% D2O	90% H2O/10% D2O	20 mM	5	ambient	303
2	HNHA	2 mM eotaxin-3,U-15N, 20mM sodium acetate (deteurated), 90% H2O, 10% D2O	90% H2O/10% D2O	20 mM	5	ambient	303
3	13C, 15N simultaneously edited NOESY	2 mM eotaxin-3,U-15N, 13C, 20mM sodium acetate (deteurated), 90% H2O, 10% D2O	90% H2O/10% D2O	20 mM	5	ambient	303
4	3D_13C-separated_NOESY	2 mM eotaxin-3,U-15N, 13C, 20mM sodium acetate (deteurated), 90% H2O, 10% D2O	100% D2O	20 mM	5	ambient	303
5	13C-edited HSQC	0.5 mM eotaxin-3,10% 13C-labeled, 20mM sodium acetate (deteurated)	100% D2O	20 mM	5	ambient	303

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Varian	UNITY	500

NMR Refinement
Method	Details	Software
distance geometry-simulated annealing protocol implemented in XPLOR	The structures are based on a total of 1250 restraints, 1157 are NOE-derived distance constraints, 69 dihedral angle restraints, 17 distance restraints from hydrogn bonds.	X-PLOR

NMR Ensemble Information
Conformer Selection Criteria	structures with the lowest energy
Conformers Calculated Total Number	100
Conformers Submitted Total Number	20
Representative Model	PDB ID 1G2S (minimized average structure)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	structure solution	X-PLOR	XPLOR98.1	Brunger
2	data analysis	Felix	Felix98	msi industry
3	collection	VNMR	VNMR6.1	Varian
4	structure solution	Procheck-nmr	PROCHECK v.3	laskowski
5	refinement	Procheck-nmr	PROCHECK v.3	laskowski

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.