BMRB: 25890

1H chemical shift assignments for 45 nucleotide DNA dumbbell (model for single-strand break with one-nucleotide gap)

Authors

Neuhaus, D., Eustermann, S., Yang, J., Wu, W.

Assembly

DNA free

Entity

1. DNA free (polymer, Thiol state: not present), 45 monomers, 13934.83 Da Detail

GCTGGCTTCG TAAGAAGCCA GCTCGCGGTC AGCTTGCTGA CCGCG

Formula weight

13934.83 Da

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 70.1 %, Completeness (bb): 66.0 % Detail

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Polymer type: polydeoxyribonucleotide

	Total	1H
All	70.1 % (310 of 442)	70.1 % (310 of 442)
Suger, PO4	66.0 % (208 of 315)	66.0 % (208 of 315)
Nucleobase	80.3 % (102 of 127)	80.3 % (102 of 127)
Aromatic	90.0 % (81 of 90)	90.0 % (81 of 90)
Methyl	100.0 % (9 of 9)	100.0 % (9 of 9)

1. DNA (45-MER)

GCTGGCTTCG TAAGAAGCCA GCTCGCGGTC AGCTTGCTGA CCGCG

Show sample condition

Sample #1

Solvent system 100% D2O, Pressure 1 atm, Temperature 273 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
1	DNA (45-MER)	natural abundance		0.2 mM
2	TRIS	[U-2H]		50 mM
3	DTT	[U-2H]		1 mM
4	ZnSO4	natural abundance		0.1 mM
5	D2O	[U-2H]	solvent	100 %

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 273 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
6	DNA (45-MER)	natural abundance		0.2 mM
7	TRIS	[U-2H]		50 mM
8	DTT	[U-2H]		1 mM
9	ZnSO4	natural abundance		0.1 mM
10	H2O	natural abundance	solvent	95 %
11	D2O	[U-2H]	solvent	5 %

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Release date

2015-11-24

Citation

Structural Basis of Detection and Signaling of DNA Single-Strand Breaks by Human PARP-1
Eustermann, S., Wu, W., Langelier, M., Yang, J., Easton, L.E., Riccio, A., Pascal, J.M., Neuhaus, D.
Mol. Cell (2015), 60, 742-754, PubMed 26626479 , DOI 10.1016/j.molcel.2015.10.032 , Abstract

Entries sharing articles BMRB: 7 entries Detail

Experiments performed 4 experiments Detail

Chemical shift validation 3 contents Detail