Experiment: 2EW9

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D_13C-separated_NOESY	2mM apoWLN5-6 U-13C,15N, 100 mM phosphate buffer, 90% H2O, 10% D2O	90% H2O/10% D2O	100 mM sodium phosphate	7.2	ambient	298
2	2D NOESY	2mM apoWLN5-6 U-15N, 100 mM phosphate buffer, 90% H2O, 10% D2O	90% H2O/10% D2O	100 mM sodium phosphate	7.2	ambient	298
3	3D_15N-separated_NOESY	2mM apoWLN5-6 U-15N, 100 mM phosphate buffer, 90% H2O, 10% D2O	90% H2O/10% D2O	100 mM sodium phosphate	7.2	ambient	298

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	AVANCE	900
2	Bruker	AVANCE	800
3	Bruker	AVANCE	600
4	Bruker	AVANCE	500

NMR Refinement
Method	Details	Software
torsion angle dynamics	the structures are based on a total of 2900 restraints, 2623 are NOE-derived distance constraints, 173 dihedral angle restraints, 104 distance restraints from hydrogen bonds	XwinNMR

NMR Ensemble Information
Conformer Selection Criteria	target function
Conformers Calculated Total Number	300
Conformers Submitted Total Number	31
Representative Model	1 (minimized average structure)

Additional NMR Experimental Information
Details	The structure was determined using triple-resonance NMR spectroscopy

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	collection	XwinNMR
2	processing	XwinNMR
3	data analysis	CARA
4	structure solution	DYANA
5	refinement	Amber	5.0

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.