1F6U

NMR structure of the HIV-1 nucleocapsid protein bound to stem-loop sl2 of the psi-RNA packaging signal. Implications for genome recognition

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D NOESY	0.6-1.2 mM complex of Nucleocapsid protein and SL2 RNA; natural abundance, 15N or 13C/15N isotopic labeled	25mM Acetate buffer	25mM NaCl	6.5	ambient	298
2	3D_13C-separated_NOESY	0.6-1.2 mM complex of Nucleocapsid protein and SL2 RNA; natural abundance, 15N or 13C/15N isotopic labeled	25mM Acetate buffer	25mM NaCl	6.5	ambient	298
3	3D_13C-separated_ROESY	0.6-1.2 mM complex of Nucleocapsid protein and SL2 RNA; natural abundance, 15N or 13C/15N isotopic labeled	25mM Acetate buffer	25mM NaCl	6.5	ambient	298
4	3D_15N-separated_NOESY	0.6-1.2 mM complex of Nucleocapsid protein and SL2 RNA; natural abundance, 15N or 13C/15N isotopic labeled	25mM Acetate buffer	25mM NaCl	6.5	ambient	298
5	4D_13C/15N-separated_NOESY	0.6-1.2 mM complex of Nucleocapsid protein and SL2 RNA; natural abundance, 15N or 13C/15N isotopic labeled	25mM Acetate buffer	25mM NaCl	6.5	ambient	298
6	HNCA-J	0.6-1.2 mM complex of Nucleocapsid protein and SL2 RNA; natural abundance, 15N or 13C/15N isotopic labeled	25mM Acetate buffer	25mM NaCl	6.5	ambient	298

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		XwinNMR

NMR Ensemble Information
Conformer Selection Criteria	target function
Conformers Calculated Total Number	400
Conformers Submitted Total Number	20
Representative Model	1 (fewest violations)

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

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.