Experiment: 1FNX

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D_15N-separated_NOESY	20mM phosphate K buffer; 0.8mM RBD1-RBD2 U-15N,13C; 0.8mM ARE; 1mM DTT; 100 units/ml ribonuclease inhibitor	90% H2O/10% D2O	20mM	6.0	ambient	298
2	3D_13C-separated_NOESY	20mM phosphate K buffer; 0.8mM RBD1-RBD2 U-15N,13C; 0.8mM ARE; 1mM DTT; 100 units/ml ribonuclease inhibitor	90% H2O/10% D2O	20mM	6.0	ambient	298
3	3D_13C-separated_NOESY	20mM phosphate K buffer; 0.8mM RBD1-RBD2; 0.8mM ARE U-15N,13C; 1mM DTT; 100 units/ml ribonuclease inhibitor	90% H2O/10% D2O	20mM	6.0	ambient	298
4	3D_13C-separated_NOESY	20mM phosphate K buffer; 0.8mM RBD1-RBD2; 0.8mM ARE U-15N,13C; 1mM DTT; 100 units/ml ribonuclease inhibitor	100% D2O	20mM	6.0	ambient	298
5	3D_13C-separated_NOESY	20mM phosphate K buffer; 0.8mM RBD1-RBD2; 0.8mM ARE U-15N,13C-Adenosine; 1mM DTT; 100 units/ml ribonuclease inhibitor	90% H2O/10% D2O	20mM	6.0	ambient	298
6	3D_13C-separated_NOESY	20mM phosphate K buffer; 0.8mM RBD1-RBD2; 0.8mM ARE U-15N,13C-Adenosine; 1mM DTT; 100 units/ml ribonuclease inhibitor	100% D2O	20mM	6.0	ambient	298

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	DMX	500
2	Bruker	DRX	600

NMR Refinement
Method	Details	Software
simulated annealing, torsion angle dynamics		CNS

NMR Ensemble Information
Conformer Selection Criteria	structures with the lowest energy. CONFORMER 21 IS THE MINIMIZED AVERAGE STRUCTURE OF CONFORMERS 1-20
Conformers Calculated Total Number	200
Conformers Submitted Total Number	21
Representative Model	21 (conformer 21 is the minimized average structure of conformers 1-20)

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

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	structure solution	CNS	0.9	Brunger
2	refinement	CNS	0.9	Brunger et al.

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.