Experiment: 2NAB

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D 1H-15N HSQC	0.8 mM [U-99% 15N] sodium phosphate	90% H2O/10% D2O	0.150	6.3	ambient	295
2	2D 1H-1H TOCSY	0.8 mM sodium phosphate	90% H2O/10% D2O	0.150	6.3	ambient	295
3	2D 1H-1H TOCSY	0.8 mM sodium phosphate	100% D2O	0.150	6.3	ambient	295
4	2D 1H-1H NOESY	0.8 mM sodium phosphate	90% H2O/10% D2O	0.150	6.3	ambient	295
5	2D 1H-1H NOESY	0.8 mM sodium phosphate	100% D2O	0.150	6.3	ambient	295
6	3D HNCA	0.8 mM [U-99% 13C; U-99% 15N] sodium phosphate	90% H2O/10% D2O	0.150	6.3	ambient	295
7	3D CBCA(CO)NH	0.8 mM [U-99% 13C; U-99% 15N] sodium phosphate	90% H2O/10% D2O	0.150	6.3	ambient	295
8	3D HNCO	0.8 mM [U-99% 13C; U-99% 15N] sodium phosphate	90% H2O/10% D2O	0.150	6.3	ambient	295

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	AVANCE	600

NMR Refinement
Method	Details	Software
simulated annealing		ARIA

NMR Ensemble Information
Conformer Selection Criteria	structures with the lowest energy
Conformers Calculated Total Number	50
Conformers Submitted Total Number	15
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

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.