1FYY | pdb_00001fyy

HPRT GENE MUTATION HOTSPOT WITH A BPDE2(10R) ADDUCT

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D NOESY	1 mM Duplex, 20 mM phosphate buffer, 56 mM NaCl, pH 6.8-7.0	90% H2O / 10% D2O or >99.96% D2O	100 mM	6.8	ambient	288
2	2D NOESY

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Varian	UNITYPLUS	750

NMR Refinement
Method	Details	Software
matrix relaxation		Amber

NMR Ensemble Information
Conformer Selection Criteria	Submitted the average structure of the 10 structures determined
Conformers Calculated Total Number	10
Conformers Submitted Total Number	1

Additional NMR Experimental Information
Details	This structure was determined using standard 2D homonuclear techniques.

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	refinement	Amber	5	Case, D. A. et al
2	iterative matrix relaxation	MORASS	2.5	Post, C. B. ; Meadows, R. and Gorenstein, D. G.

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.