SOLUTION NMR

NMR Experiment
Experiment Type Sample Contents Ionic Strength Solvent pH Pressure Temprature (K)
1 3D_13C-separated_NOESY 1.0mM UBA domain U-15N, 13C; 20mM phosphate buffer (pH 6.0), 100mM NaCl, 1mM-d-DTT, 0.02% NaN3, 10% D2O 100mM NaCl 90% H2O/10% D2O 6.0 ambient 298
2 3D_15N-separated_NOESY 1.0mM UBA domain U-15N, 13C; 20mM phosphate buffer (pH 6.0), 100mM NaCl, 1mM-d-DTT, 0.02% NaN3, 10% D2O 100mM NaCl 90% H2O/10% D2O 6.0 ambient 298
NMR Spectrometer Information
Spectrometer Manufacturer Model Field Strength
1 Varian INOVA 800
NMR Refinement
Method Details Software
torsion angle dynamics ? 1
NMR Ensemble Information
Conformer Selection Criteria structures with the least restraint violations, structures with the lowest energy, target function
Conformers Calculated Total Number 100
Conformers Submitted Total Number 20
Representative Model 1 (lowest energy)
Computation: NMR Software
# Classification Version Software Name Author
1 collection 6.1C VNMR Varian
2 processing 97.027.12.56 NMRPipe Delaglio, F.
3 data analysis 5.0.4 NMRView Johnson, B. A.
4 data analysis 0.8993 KUJIRA Kobayashi, N.
5 structure solution 1.0.8 CYANA Guentert, P.
6 refinement 1.0.8 CYANA Guentert, P.
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