1K1H | pdb_00001k1h

HETERODUPLEX OF CHIRALLY PURE METHYLPHOSPHONATE/DNA DUPLEX

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D NOESY	DNA, 100 mM NaCl, 10 mM Phosphate, 0.1 mM EDTA	H2O, D2O	100 mM	7.0	1 atm	298
2	DQF-COSY	DNA, 100 mM NaCl, 10 mM Phosphate, 0.1 mM EDTA	H2O, D2O	100 mM	7.0	1 atm	298

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Varian	UNITYPLUS	750
2	Varian	UNITYPLUS	600
3	Varian	UNITYPLUS	400

NMR Refinement
Method	Details	Software
molecular dynamics matrix relaxation	No dihedral restraints were used.	VNMR

NMR Ensemble Information
Conformer Selection Criteria
Conformers Calculated Total Number
Conformers Submitted Total Number	1

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	processing	VNMR	5.1	Varian
2	iterative matrix relaxation	MORASS	2.1	Post, Meadows, and Gorenstein
3	refinement	Amber	5.0	UCSF

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.