1FJE | pdb_00001fje

SOLUTION STRUCTURE OF NUCLEOLIN RBD12 IN COMPLEX WITH SNRE RNA

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 nucleolin RBD12 in complex with unlabeled RNA	90% H2O/10% D2O	150	6.2	ambient	303
2	13C-12C filtered 3D	1mM U-15N,13C nucleolin RBD12 in complex with unlabeled RNA	90% H2O/10% D2O	150	6.2	ambient	303
3	3D_15N-separated_NOESY	1mM U-15N nucleolin RBD12 in complex with unlabeled RNA	90% H2O/10% D2O	150	6.2	ambient	303
4	2D NOESY	1mM U-15N nucleolin RBD12 in complex with unlabeled RNA	100% D2O	150	6.2	ambient	303
5	2D NOESY	1mM U-15N nucleolin RBD12 in complex with unlabeled RNA	100% D2O	150	6.2	ambient	318
6	3D_13C-separated_NOESY	1mM U-15N-13C RNA in complex with U-15N nucleolin RBD12	100% D2O	150	6.2	ambient	303

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

NMR Refinement
Method	Details	Software
simulated annealing using XPLOR 3.841	structures are based on 3246 constraints, 3010 are NOE-derived including 150 intermolecular	X-PLOR

NMR Ensemble Information
Conformer Selection Criteria	all calculated structures submitted
Conformers Calculated Total Number	40
Conformers Submitted Total Number	19
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

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), 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 R01GM157729.