1A8W | pdb_00001a8w

A K+ CATION-INDUCED CONFORMATIONAL SWITCH WITHIN A LOOP SPANNING SEGMENT OF A DNA QUADRUPLEX CONTAINING G-G-G-C REPEATS, NMR, 8 STRUCTURES

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	NOESY	5 MM NACL, 0.2 MM NA2HPO4			6.5	1 atm	293
2	TOCSY	5 MM NACL, 0.2 MM NA2HPO4			6.5	1 atm	293
3	COSY	5 MM NACL, 0.2 MM NA2HPO4			6.5	1 atm	293

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Varian	UNITY INOVA	600

NMR Refinement
Method	Details	Software
distance geometry	REFINEMENT DETAILS CAN BE FOUND IN THE JRNL CITATION ABOVE	X-PLOR

NMR Ensemble Information
Conformer Selection Criteria	ACCEPTABLE COVALENT ENERGY, LOW DISTANCE RESTRAINT VIOLATIONS, FAVORABLE NON-BONDED ENERGY
Conformers Calculated Total Number	100
Conformers Submitted Total Number	8

Additional NMR Experimental Information
Details	STRUCTURE DETERMINED BY USING 5 NOESY MIXING TIME EXPERIMENTS IN D2O (50, 100, 150, 200 AND 300 MS) AND 2 NOESY MIXING TIME EXPERIMENTS IN H2O (80 AND 250 MS)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	refinement	X-PLOR	3.1	BRUNGER
2	structure solution	X-PLOR

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.