Experiment: 2RSK

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D 1H-1H NOESY	1mM RNA-1, 1mM P16-2, 10mM potassium phosphate-3, 10mM potassium chloride-4, 0.01mM DSS-5, 3mM sodium azide-6	95% H2O/5% D2O	10	6.2	ambient	278
2	2D 1H-1H NOESY	1mM RNA-1, 1mM P16-2, 10mM potassium phosphate-3, 10mM potassium chloride-4, 0.01mM DSS-5, 3mM sodium azide-6	95% H2O/5% D2O	10	6.2	ambient	303
3	2D 1H-1H NOESY	1mM RNA-7, 1mM P16-8, 10mM potassium phosphate-9, 10mM potassium chloride-10, 0.01mM DSS-11, 3mM sodium azide-12	100% D2O	10	6.2	ambient	278
4	2D 1H-1H NOESY	1mM RNA-7, 1mM P16-8, 10mM potassium phosphate-9, 10mM potassium chloride-10, 0.01mM DSS-11, 3mM sodium azide-12	100% D2O	10	6.2	ambient	303
5	2D 1H-1H TOCSY	1mM RNA-1, 1mM P16-2, 10mM potassium phosphate-3, 10mM potassium chloride-4, 0.01mM DSS-5, 3mM sodium azide-6	95% H2O/5% D2O	10	6.2	ambient	303
6	2D 1H-1H TOCSY	1mM RNA-7, 1mM P16-8, 10mM potassium phosphate-9, 10mM potassium chloride-10, 0.01mM DSS-11, 3mM sodium azide-12	100% D2O	10	6.2	ambient	303
7	2D DQF-COSY	1mM RNA-1, 1mM P16-2, 10mM potassium phosphate-3, 10mM potassium chloride-4, 0.01mM DSS-5, 3mM sodium azide-6	95% H2O/5% D2O	10	6.2	ambient	303
8	2D DQF-COSY	1mM RNA-7, 1mM P16-8, 10mM potassium phosphate-9, 10mM potassium chloride-10, 0.01mM DSS-11, 3mM sodium azide-12	100% D2O	10	6.2	ambient	303
9	2D 1H-13C HSQC	1mM RNA-7, 1mM P16-8, 10mM potassium phosphate-9, 10mM potassium chloride-10, 0.01mM DSS-11, 3mM sodium azide-12	100% D2O	10	6.2	ambient	303
10	JRHMBC	1mM RNA-1, 1mM P16-2, 10mM potassium phosphate-3, 10mM potassium chloride-4, 0.01mM DSS-5, 3mM sodium azide-6	95% H2O/5% D2O	10	6.2	ambient	303

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

NMR Refinement
Method	Details	Software
simulated annealing		X-PLOR NIH

NMR Ensemble Information
Conformer Selection Criteria	structures with the lowest energy
Conformers Calculated Total Number	100
Conformers Submitted Total Number	10
Representative Model	1 (lowest energy)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	refinement	X-PLOR NIH	2.26	Schwieters, Kuszewski, Tjandra and Clore
2	collection	XwinNMR		Bruker Biospin
3	collection	TopSpin		Bruker Biospin
4	chemical shift assignment	Sparky		Goddard
5	peak picking	Sparky		Goddard
6	processing	NMRPipe		Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax
7	data analysis	TALOS		Cornilescu, Delaglio and Bax

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.