1FJ7

SOLUTION STRUCTURE OF NUCLEOLIN RBD1

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D_13C-separated_NOESY	1mM U-15N,13C; 50mM potassium phosphate buffer; 100 mM KCl, 5mM deuterated DTT, pH 6.2	90% H2O/10% D2O	150	6.2	ambient	293
2	3D_15N-separated_NOESY	1mM U-15N,13C; 50mM potassium phosphate buffer; 100 mM KCl, 5mM deuterated DTT, pH 6.2	90% H2O/10% D2O	150	6.2	ambient	293
3	2D NOESY	1mM U-15N,13C; 50mM potassium phosphate buffer; 100 mM KCl, 5mM deuterated DTT, pH 6.2	90% H2O/10% D2O	150	6.2	ambient	293

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

NMR Refinement
Method	Details	Software
simulated annealing using X-PLOR 3.841	structures are based on 1391 restraints, 1335 are NOE-derived and 56 are from hydrogen bonds	X-PLOR

NMR Ensemble Information
Conformer Selection Criteria	all calculated structures submitted
Conformers Calculated Total Number	50
Conformers Submitted Total Number	34
Representative Model	1 (lowest energy)

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

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	refinement	X-PLOR	3.841	Brunger
2	structure solution	X-PLOR	3.841	Brunger
3	structure solution	DYANA	1	Guntert

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.