SOLUTION NMR

NMR Experiment
Experiment Type Sample Contents Ionic Strength Solvent pH Pressure Temprature (K)
1 2D 1H-15N HSQC 0.5 mM 15N 13C H-NS 85-137, 5 mM Top1-DNA, 95% H2O/5% D2O 150 (50 mM NaH2PO4, 100 mM NaCl, 0.2 mM EDTA) 95% H2O/5% D2O 5.7 1 298
2 3D HNCACB 0.5 mM 15N 13C H-NS 85-137, 5 mM Top1-DNA, 95% H2O/5% D2O 150 (50 mM NaH2PO4, 100 mM NaCl, 0.2 mM EDTA) 95% H2O/5% D2O 5.7 1 298
3 3D CBCA(CO)NH 0.5 mM 15N 13C H-NS 85-137, 5 mM Top1-DNA, 95% H2O/5% D2O 150 (50 mM NaH2PO4, 100 mM NaCl, 0.2 mM EDTA) 95% H2O/5% D2O 5.7 1 298
4 3D HNCO 0.5 mM 15N 13C H-NS 85-137, 5 mM Top1-DNA, 95% H2O/5% D2O 150 (50 mM NaH2PO4, 100 mM NaCl, 0.2 mM EDTA) 95% H2O/5% D2O 5.7 1 298
5 2D 1H-13C HSQC 0.5 mM 15N 13C H-NS 85-137, 5 mM Top1-DNA, 95% H2O/5% D2O 150 (50 mM NaH2PO4, 100 mM NaCl, 0.2 mM EDTA) 95% H2O/5% D2O 5.7 1 298
6 3D HBHA(CO)NH 0.5 mM 15N 13C H-NS 85-137, 5 mM Top1-DNA, 95% H2O/5% D2O 150 (50 mM NaH2PO4, 100 mM NaCl, 0.2 mM EDTA) 95% H2O/5% D2O 5.7 1 298
7 3D HCCH-COSY 0.5 mM 15N 13C H-NS 85-137, 5 mM Top1-DNA, 95% H2O/5% D2O 150 (50 mM NaH2PO4, 100 mM NaCl, 0.2 mM EDTA) 95% H2O/5% D2O 5.7 1 298
8 3D CCH-COSY 0.5 mM 15N 13C H-NS 85-137, 5 mM Top1-DNA, 95% H2O/5% D2O 150 (50 mM NaH2PO4, 100 mM NaCl, 0.2 mM EDTA) 95% H2O/5% D2O 5.7 1 298
9 3D CCH-TCOSY 0.5 mM 15N 13C H-NS 85-137, 5 mM Top1-DNA, 95% H2O/5% D2O 150 (50 mM NaH2PO4, 100 mM NaCl, 0.2 mM EDTA) 95% H2O/5% D2O 5.7 1 298
10 2D CBHD 0.5 mM 15N 13C H-NS 85-137, 5 mM Top1-DNA, 95% H2O/5% D2O 150 (50 mM NaH2PO4, 100 mM NaCl, 0.2 mM EDTA) 95% H2O/5% D2O 5.7 1 298
11 2D CBHE 0.5 mM 15N 13C H-NS 85-137, 5 mM Top1-DNA, 95% H2O/5% D2O 150 (50 mM NaH2PO4, 100 mM NaCl, 0.2 mM EDTA) 95% H2O/5% D2O 5.7 1 298
12 2D 1H-13C HSQC aromatic 0.5 mM 15N 13C H-NS 85-137, 5 mM Top1-DNA, 95% H2O/5% D2O 150 (50 mM NaH2PO4, 100 mM NaCl, 0.2 mM EDTA) 95% H2O/5% D2O 5.7 1 298
13 3D 1H-13C NOESY aromatic 0.5 mM 15N 13C H-NS 85-137, 5 mM Top1-DNA, 95% H2O/5% D2O 150 (50 mM NaH2PO4, 100 mM NaCl, 0.2 mM EDTA) 95% H2O/5% D2O 5.7 1 298
14 2D F1, F2-15N/13C filtered 1H-1H NOSEY 0.5 mM 15N 13C H-NS 85-137, 5 mM Top1-DNA, 95% H2O/5% D2O 150 (50 mM NaH2PO4, 100 mM NaCl, 0.2 mM EDTA) 95% H2O/5% D2O 5.7 1 298
15 3D 1H-15N NOESY 0.5 mM 15N 13C H-NS 85-137, 5 mM Top1-DNA, 95% H2O/5% D2O 150 (50 mM NaH2PO4, 100 mM NaCl, 0.2 mM EDTA) 95% H2O/5% D2O 5.7 1 298
16 3D 1H-13C NOESY 0.5 mM 15N 13C H-NS 85-137, 5 mM Top1-DNA, 95% H2O/5% D2O 150 (50 mM NaH2PO4, 100 mM NaCl, 0.2 mM EDTA) 95% H2O/5% D2O 5.7 1 298
17 3D F1-15N/13C filtered, F2-15N edited NOSEY-HSQC 0.5 mM 15N 13C H-NS 85-137, 5 mM Top1-DNA, 95% H2O/5% D2O 150 (50 mM NaH2PO4, 100 mM NaCl, 0.2 mM EDTA) 95% H2O/5% D2O 5.7 1 298
18 3D F1-15N/13C filtered, F2-13C edited NOSEY-HSQC 0.5 mM 15N 13C H-NS 85-137, 5 mM Top1-DNA, 95% H2O/5% D2O 150 (50 mM NaH2PO4, 100 mM NaCl, 0.2 mM EDTA) 95% H2O/5% D2O 5.7 1 298
NMR Spectrometer Information
Spectrometer Manufacturer Model Field Strength
NMR Refinement
Method Details Software
NMR Ensemble Information
Conformer Selection Criteria structures with the lowest energy
Conformers Calculated Total Number 100
Conformers Submitted Total Number 20
Representative Model 1 (lowest energy)
Computation: NMR Software
# Classification Version Software Name Author
1 processing ? NMRPipe Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax
2 chemical shift assignment ? NMRView Johnson, One Moon Scientific
3 peak picking ? NMRView Johnson, One Moon Scientific
4 structure calculation ? CYANA Guntert, Mumenthaler and Wuthrich
5 refinement ? Amber Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman
6 data analysis ? PROCHECK / PROCHECK-NMR Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Thornton
Feedback Form
Name
Email
Institute
Feedback