Experiment: 2KZD

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D 1H-1H NOESY	0.5-2.0 mM DNA-2	100% D2O	90mM K+	7	ambient	298
2	2D 1H-1H JR NOESY	0.5-2.0 mM DNA-1	90% H2O/10% D2O	90mM K+	7	ambient	298
3	2D 1H-1H COSY	0.5-2.0 mM DNA-2	100% D2O	90mM K+	7	ambient	298
4	2D 1H-1H TOCSY	0.5-2.0 mM DNA-2	100% D2O	90mM K+	7	ambient	298
5	2D 1H-13C HSQC	0.5-2.0 mM DNA-2	100% D2O	90mM K+	7	ambient	298
6	2D 1H-13C JR HMBC	0.5-2.0 mM DNA-1	90% H2O/10% D2O	90mM K+	7	ambient	298
7	H-D EXCHANGE	0.5-2.0 mM DNA-2	100% D2O	90mM K+	7	ambient	298
8	15N-FILTERED	0.5-2.0 mM [U-2% 15N] DNA-3	90% H2O/10% D2O	90mM K+	7	ambient	298
9	D-LABELED	0.5-2.0 mM [U-100% 2H] DNA-4	90% H2O/10% D2O	90mM K+	7	ambient	298

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	AVANCE	600
2	Bruker	AVANCE	700

NMR Refinement
Method	Details	Software
DGSA-distance geometry simulated annealing, distance-restrained molecular dynamics		TopSpin

NMR Ensemble Information
Conformer Selection Criteria	structures with the lowest energy
Conformers Calculated Total Number	100
Conformers Submitted Total Number	10
Representative Model	1 (lowest energy)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	processing	TopSpin	2.1	Bruker Biospin
2	peak picking	Felix	2007	Felix NMR, Inc.
3	structure solution	X-PLOR NIH	2.24	Schwieters, Kuszewski, Tjandra and Clore
4	refinement	X-PLOR NIH	2.24	Schwieters, Kuszewski, Tjandra and Clore

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.