2FDT

Solution structure of a conserved RNA hairpin of eel LINE UnaL2

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D NOESY, 2D TOCSY	0.9mM RNA; 10mM PHOSPHATE BUFFER (pH 6.0); 50mM NACL; 95% H2O, 5% D2O	95% H2O/5% D2O	50mM NaCl	6.0	ambient	293
2	2D NOESY, 2D TOCSY, DQF-COSY, HP-COSY	0.9mM RNA; 10mM PHOSPHATE BUFFER (pH 6.0); 50mM NACL; 100% D2O	100% D2O	50mM NaCl	6.0	ambient	293
3	2D HNN-COSY, 2D HSQC	0.3mM RNA U-15N, 13C-GUANOSINE, CYTIDINE; 10mM PHOSPHATE BUFFER (pH 6.0); 50mM NACL; 95% H2O, 5% D2O	95% H2O/5% D2O	50mM NaCl	6.0	ambient	293
4	HCP, HALF FILTERED NOESY, 2D HSQC, 2D TROSY	0.3mM RNA U-15N, 13C-GUANOSINE, CYTIDINE; 10mM PHOSPHATE BUFFER (pH 6.0); 50mM NACL; 100% D2O	100% D2O	50mM NaCl	6.0	ambient	293
5	2D HNN-COSY, 2D HSQC	0.9mM RNA U-15N, 13C-ADENOSINE, URIDINE; 10mM PHOSPHATE BUFFER (pH 6.0); 50mM NACL; 95% H2O, 5% D2O	95% H2O/5% D2O	50mM NaCl	6.0	ambient	293
6	HCP, HALF FILTERED NOESY, 2D HSQC, 2D TROSY	0.9mM RNA U-15N, 13C-ADENOSINE, URIDINE; 10mM PHOSPHATE BUFFER (pH 6.0); 50mM NACL; 100% D2O	100% D2O	50mM NaCl	6.0	ambient	293
7	2D HSQC, 2D TROSY	0.3mM RNA U-15N, 13C-GUANOSINE, CYTIDINE; 10mM PHOSPHATE BUFFER (pH 6.0); 50mM NACL; 16mg/ml PF1 BACTERIAPHAGE; 100% D2O	100% D2O	50mM NaCl	6.0	ambient	293
8	2D HSQC, 2D TROSY	0.9mM RNA U-15N, 13C-ADENOSINE, URIDINE; 10mM PHOSPHATE BUFFER (pH 6.0); 50mM NACL; 16mg/ml PF1 BACTERIAPHAGE; 100% D2O	100% D2O	50mM NaCl	6.0	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	A total of 404 NOE distance restraints including the seven restraints for the absence of NOE cross peaks, 182 dihedral restraints, 62 hydrogen bonding restraints, 11 planarity restraints and 144 chiral restraints were used.Furthermore, refinement structures using 75 RDC restraints.	XwinNMR

NMR Ensemble Information
Conformer Selection Criteria	structures with the lowest energy
Conformers Calculated Total Number	100
Conformers Submitted Total Number	11
Representative Model	1 (minimized average structure)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	collection	XwinNMR	2.6
2	data analysis	Felix	97.0
3	structure solution	Discover	97.0
4	refinement	XPLOR-NIH	2.10

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 R01GM133198.