SOLUTION NMR

NMR Experiment
Experiment Type Sample Contents Ionic Strength Solvent pH Pressure Temprature (K)
1 3D_13C-separated_NOESY 1.5mM RSGI RUH-003 U-13C,15N; 20mM Tris-HCl, 100mM NaCl, 1mM DTT U-2H, 0.02% NaN3; 90% H2O, 10% D2O 100mM NaCl 90% H2O/10% D2O 7.0 ambient 298
2 3D_15N-separated_NOESY 1.5mM RSGI RUH-003 U-13C,15N; 20mM Tris-HCl, 100mM NaCl, 1mM DTT U-2H, 0.02% NaN3; 90% H2O, 10% D2O 100mM NaCl 90% H2O/10% D2O 7.0 ambient 298
NMR Spectrometer Information
Spectrometer Manufacturer Model Field Strength
1 Bruker AVANCE 800
NMR Refinement
Method Details Software
simulated annealing, torsion angle dynamics ? 1
NMR Ensemble Information
Conformer Selection Criteria The submitted conformer models are those with the lowest number of target function
Conformers Calculated Total Number 100
Conformers Submitted Total Number 20
Representative Model 1 (lowest target function)
Computation: NMR Software
# Classification Version Software Name Author
1 collection 3.1 XwinNMR Bruker
2 processing 2.1 NMRPipe Delaglio
3 data analysis 5.0.4 NMRView Johnson
4 structure solution 1.0.7 CYANA Guentert
5 refinement 1.0.7 CYANA Guentert
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