1V9X

Solution structure of the first Zn-finger domain of poly(ADP-ribose) polymerase-1

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D_13C-separated_NOESY	1.14mM zf-PARP domain u-13C,15N; 20mM TrisHCl, 100mM NaCl, 0.02% NaN3, 0.1mM ZnCl2	90% H2O/10% D2O	120mM	7.0	ambient	298
2	3D_15N-separated_NOESY	1.14mM zf-PARP domain u-13C,15N; 20mM TrisHCl, 100mM NaCl, 0.02% NaN3, 0.1mM ZnCl2	90% H2O/10% D2O	120mM	7.0	ambient	298

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Varian	INOVA	800

NMR Refinement
Method	Details	Software
torsion angle dynamics		VNMR

NMR Ensemble Information
Conformer Selection Criteria	structures with the least restraint violations, target function
Conformers Calculated Total Number	100
Conformers Submitted Total Number	20

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	collection	VNMR	6.1C	Varian
2	processing	NMRPipe	2002045	Delaglio, F.
3	data analysis	NMRView	5.0.4	Johnson, B.A.
4	data analysis	KUJIRA	0.861	Kobayashi, N.
5	structure solution	CYANA	2.0.17	Guentert, P.
6	refinement	CYANA	2.0.17	Guentert, P.

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.