Experiment: 2K7V

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D 1H-15N HSQC	1 mM [U-15N] E2plipD4, 20 mM sodium phosphate, 40 uM TSP	90% H2O/10% D2O	20	6.0	ambient	298
2	2D 1H-1H NOESY	1 mM [U-15N] E2plipD4, 20 mM sodium phosphate, 40 uM TSP	90% H2O/10% D2O	20	6.0	ambient	298
3	3D 1H-15N NOESY	1 mM [U-15N] E2plipD4, 20 mM sodium phosphate, 40 uM TSP	90% H2O/10% D2O	20	6.0	ambient	298
4	3D 1H-15N TOCSY	1 mM [U-15N] E2plipD4, 20 mM sodium phosphate, 40 uM TSP	90% H2O/10% D2O	20	6.0	ambient	298
5	2D 1H-1H TOCSY	1 mM [U-15N] E2plipD4, 20 mM sodium phosphate, 40 uM TSP	90% H2O/10% D2O	20	6.0	ambient	298
6	2D DQF-COSY	1 mM [U-15N] E2plipD4, 20 mM sodium phosphate, 40 uM TSP	90% H2O/10% D2O	20	6.0	ambient	298

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	DRX	500

NMR Refinement
Method	Details	Software
DGSA-distance geometry simulated annealing		ARIA

NMR Ensemble Information
Conformer Selection Criteria	structures with the lowest energy
Conformers Calculated Total Number	100
Conformers Submitted Total Number	20
Representative Model	1 (lowest energy)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	structure solution	ARIA		Linge, O'Donoghue and Nilges
2	refinement	ARIA		Linge, O'Donoghue and Nilges

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.