SOLUTION NMR

NMR Experiment
Experiment Type Sample Contents Ionic Strength Solvent pH Pressure Temprature (K)
1 2D NOESY 2.5 mM Cu(I)-CopC 15N,13C; 100mM phosphate buffer NA; 90% H2O, 10% D2O 100mM phosphate 90% H2O/10% D2O 7.0 ambient 298
2 3D_13C-separated_NOESY 2.5 mM Cu(I)-CopC 15N,13C; 100mM phosphate buffer NA; 90% H2O, 10% D2O 100mM phosphate 90% H2O/10% D2O 7.0 ambient 298
3 3D_15N-separated_NOESY 2.5 mM Cu(I)-CopC 15N,13C; 100mM phosphate buffer NA; 90% H2O, 10% D2O 100mM phosphate 90% H2O/10% D2O 7.0 ambient 298
4 HNHA 2.5 mM Cu(I)-CopC 15N,13C; 100mM phosphate buffer NA; 90% H2O, 10% D2O 100mM phosphate 90% H2O/10% D2O 7.0 ambient 298
5 HNHB 2.5 mM Cu(I)-CopC 15N,13C; 100mM phosphate buffer NA; 90% H2O, 10% D2O 100mM phosphate 90% H2O/10% D2O 7.0 ambient 298
NMR Spectrometer Information
Spectrometer Manufacturer Model Field Strength
NMR Refinement
Method Details Software
simulated annealing torsion angle dynamics restrained energy minimization 1464 meaningful NOEs, 129 dihedral angle restraints and 34 experimental hydrogen bonds 1
NMR Ensemble Information
Conformer Selection Criteria ?
Conformers Calculated Total Number ?
Conformers Submitted Total Number 1
Representative Model 1 (minimized average structure)
Computation: NMR Software
# Classification Version Software Name Author
1 processing ? XwinNMR ?
2 data analysis ? XEASY Eccles, Guentert, Billeter, Wuethrich
3 structure solution ? DYANA Guentert, Mumenthaler, Wuethrich
4 iterative matrix relaxation ? CORMA Borgias, Thomas, James
5 refinement 6 Amber Case, Kollman et al.
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