SOLUTION NMR

NMR Experiment
Experiment Type Sample Contents Ionic Strength Solvent pH Pressure Temprature (K)
1 3D 15N NOESY 150 mM unlabeled sodium chloride, 400 uM [U-13C; U-15N] protein, 50 mM unlabeled sodium phosphate, 95% H2O/5% D2O 150 95% H2O/5% D2O 7.4 1 298
6 3D 13C NOESY (aromatic and aliphatic) 150 mM unlabeled sodium chloride, 400 uM [U-13C; U-15N] protein, 50 mM unlabeled sodium phosphate, 95% H2O/5% D2O 150 95% H2O/5% D2O 7.4 1 298
2 3D HNCA 150 mM unlabeled sodium chloride, 400 uM [U-13C; U-15N] protein, 50 mM unlabeled sodium phosphate, 95% H2O/5% D2O 150 95% H2O/5% D2O 7.4 1 298
3 3D HNCO 150 mM unlabeled sodium chloride, 400 uM [U-13C; U-15N] protein, 50 mM unlabeled sodium phosphate, 95% H2O/5% D2O 150 95% H2O/5% D2O 7.4 1 298
4 3D CBCA(CO)NH 150 mM unlabeled sodium chloride, 400 uM [U-13C; U-15N] protein, 50 mM unlabeled sodium phosphate, 95% H2O/5% D2O 150 95% H2O/5% D2O 7.4 1 298
5 3D HBHA(CO)NH 150 mM unlabeled sodium chloride, 400 uM [U-13C; U-15N] protein, 50 mM unlabeled sodium phosphate, 95% H2O/5% D2O 150 95% H2O/5% D2O 7.4 1 298
NMR Spectrometer Information
Spectrometer Manufacturer Model Field Strength
NMR Refinement
Method Details Software
molecular dynamics short restrained dynamics simluation in explicit solvent 1
NMR Ensemble Information
Conformer Selection Criteria 20 structures for 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 refinement ? CNS Brunger, Adams, Clore, Gros, Nilges and Read
2 structure calculation ? CYANA Guntert, Mumenthaler and Wuthrich
3 chemical shift assignment ? ABACUS Lemak and Arrowsmith
4 peak picking ? ABACUS Lemak and Arrowsmith
Feedback Form
Name
Email
Institute
Feedback