Experiment: 1NOQ

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D NOESY	2 mM 5'-d(CCGCCG), 0.1 M NaCl, 10 mM Sodium Phosphate, 0.1 mM EDTA	90 % H20, 10 % D2O		6.3	ambient	278
2	2D TOCSY	2 mM 5'-d(CCGCCG), 0.1 M NaCl, 10 mM Sodium Phosphate, 0.1 mM EDTA	90 % H20, 10 % D2O		6.3	ambient	278
3	DQF-COSY	2 mM 5'-d(CCGCCG), 0.1 M NaCl, 10 mM Sodium Phosphate, 0.1 mM EDTA	90 % H20, 10 % D2O		6.3	ambient	278
4	COSY35	2 mM 5'-d(CCGCCG), 0.1 M NaCl, 10 mM Sodium Phosphate, 0.1 mM EDTA	90 % H20, 10 % D2O		6.3	ambient	278
5	1H-31P COSY	2 mM 5'-d(CCGCCG), 0.1 M NaCl, 10 mM Sodium Phosphate, 0.1 mM EDTA	90 % H20, 10 % D2O		6.3	ambient	278

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

NMR Refinement
Method	Details	Software
distance geometry, restraint molecular dynamics	the structures are determined with a total of 442 restraints: 430 are NOE-derived distance constraints based on ISPA (isolated spin pair approximation) and 12 are dihedral angle restraints from the analyses of the COSY type of spectra.	UXNMR

NMR Ensemble Information
Conformer Selection Criteria	all calculated structures submitted
Conformers Calculated Total Number	6
Conformers Submitted Total Number	6
Representative Model	4 (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	processing	UXNMR	940101	Bruker
2	processing	Felix	95	Accelrys
3	structure solution	X-PLOR	3.01	Brunger
4	refinement	MARDIGRAS	3.0	Borgias B.A.

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.