1MYQ | pdb_00001myq

An intramolecular quadruplex of (GGA)(4) triplet repeat DNA with a G:G:G:G tetrad and a G(:A):G(:A):G(:A):G heptad, and its dimeric interaction

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D NOESY	2 mM DNA; 10 mM sodium phosphate buffer (pH 6.5); 100 mM KCl;	95% H2O/5% D2O	100 mM KCl	6.5	ambient	274
2	2D NOESY	2 mM DNA; 10 mM sodium phosphate buffer (pH 6.5);	100% D2O	100 mM KCl	6.5	ambient	298
3	2D TOCSY	2 mM DNA; 10 mM sodium phosphate buffer (pH 6.5);	100% D2O	100 mM KCl	6.5	ambient	298
4	DQF-COSY	2 mM DNA; 10 mM sodium phosphate buffer (pH 6.5);	100% D2O	100 mM KCl	6.5	ambient	298

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

NMR Refinement
Method	Details	Software
simulated annealing		X-PLOR

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

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	structure solution	X-PLOR	3.851	Brunger
2	refinement	X-PLOR	3.851	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.