1K9L | pdb_00001k9l

Solution Structure of DNA TATGAGCGCTCATA

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D NOESY	3 mM oligonucleotide, 55 mM potassium phosphate, 150 mM KCl, 0.1 mM NaN3	99.96% D2O	150 mM KCl	7.4	ambient	298
2	2D TOCSY	3 mM oligonucleotide, 55 mM potassium phosphate, 150 mM KCl, 0.1 mM NaN3	99.96% D2O

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Varian	VXRS	500
2	Varian	VXRS	600

NMR Refinement
Method	Details	Software
simulated annealing, molecular dynamics, matrix relaxation		Amber

NMR Ensemble Information
Conformer Selection Criteria	back calculated data agree with experimental NOESY spectrum
Conformers Calculated Total Number	2
Conformers Submitted Total Number	1
Representative Model	(closest to the average)

Additional NMR Experimental Information
Details	This structure was determined using standard 2D homonuclear techniques.

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	refinement	Amber	Versions 3-5	Kollman, P.
2	refinement	MORASS	Version 1.0	Meadows, R.P., Post, C.B. and Gorenstein, D.G.

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.