1ESY

NMR STRUCTURE OF STEM LOOP SL2 OF THE HIV-1 PSI RNA PACKAGING SIGNAL REVEALS A NOVEL A-U-A BASE-TRIPLE PLATFORM

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D NOESY	0.6-1.2 mM SL2 RNA, Natural abundance, 25 mM Na-d3-acetate buffer	100% D2O	25 mM NaCl	5.5	ambient	298
2	DQF-COSY	0.6-1.2 mM SL2 RNA, Natural abundance, 25 mM Na-d3-acetate buffer	100% D2O	25 mM NaCl	5.5	ambient	298
3	2D NOESY	0.6-1.2 mM SL2 RNA, Natural abundance, 25 mM Na-d3-acetate buffer	90% H2O/10% D2O
4	3D_13C-separated_NOESY	0.6-1.2 mM SL2 RNA, Natural abundance, 25 mM Na-d3-acetate buffer	100% D2O
5	3D_13C-separated_ROESY	0.6-1.2 mM SL2 RNA, Natural abundance, 25 mM Na-d3-acetate buffer	100% D2O

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	DMX	600
2	Bruker	DRX	800

NMR Refinement
Method	Details	Software
Distance Geometry, Simulated annealing, Energy mimimization		XwinNMR

NMR Ensemble Information
Conformer Selection Criteria	target function
Conformers Calculated Total Number	100
Conformers Submitted Total Number	20
Representative Model	1 (fewest violations)

Additional NMR Experimental Information
Details	experimental temperature set to either 298 or 278

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	collection	XwinNMR	2.6	Brucker
2	processing	NMRPipe	1.0	Delaglio, Gresiek, Vuister, Zhu, and Bax
3	data analysis	NMRView	3.0	Johnson, and Blevins
4	structure solution	DYANA	1.5	Guntert and Mumenthaler
5	refinement	CNS	1.0	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.