SOLUTION NMR

NMR Experiment
Experiment Type Sample Contents Ionic Strength Solvent pH Pressure Temprature (K)
1 3D_13C-separated_NOESY 1mM mDvl1 PDZ domain U-15N, 13C, 100mM phosphate buffer pH 7.5, 90% H2O, 10% D2O ? 90% H2O/10% D2O 7.5 ambient 298
2 3D_15N-separated_NOESY 1mM mDvl1 PDZ domain U-15N, 13C, 100mM phosphate buffer pH 7.5, 90% H2O, 10% D2O ? 90% H2O/10% D2O 7.5 ambient 298
NMR Spectrometer Information
Spectrometer Manufacturer Model Field Strength
1 Varian INOVA 600
NMR Refinement
Method Details Software
torsion angle dynamics the structures are based on a total of 1190 restraints: 1124 are NOE-derived distance constraints, 44 are dihedral angle restraints and 22 are distance restraints from hydrogen bonds. 1
NMR Ensemble Information
Conformer Selection Criteria target function
Conformers Calculated Total Number 320
Conformers Submitted Total Number 20
Representative Model 1 (fewest violations)
Computation: NMR Software
# Classification Version Software Name Author
1 structure solution ? DYANA GUNTERT
2 processing ? NMRPipe ?
3 data analysis ? XEASY ?
4 refinement ? DYANA GUNTERT
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