SOLUTION NMR

NMR Experiment
Experiment Type Sample Contents Ionic Strength Solvent pH Pressure Temprature (K)
1 2D 1H-15N HSQC 50mM sodium phosphate-1, 50mM sodium chloride-2, 0.5mM [U-13C; U-15N] protein-3, 90% H2O/10% D2O 100 90% H2O/10% D2O 7.0 ambient 298
2 3D 1H-15N NOESY 50mM sodium phosphate-1, 50mM sodium chloride-2, 0.5mM [U-13C; U-15N] protein-3, 90% H2O/10% D2O 100 90% H2O/10% D2O 7.0 ambient 298
3 3D 1H-13C NOESY 50mM sodium phosphate-1, 50mM sodium chloride-2, 0.5mM [U-13C; U-15N] protein-3, 90% H2O/10% D2O 100 90% H2O/10% D2O 7.0 ambient 298
NMR Spectrometer Information
Spectrometer Manufacturer Model Field Strength
NMR Refinement
Method Details Software
simulated annealing ? 1
NMR Ensemble Information
Conformer Selection Criteria structures with the lowest energy
Conformers Calculated Total Number 100
Conformers Submitted Total Number 21
Representative Model 1 (closest to the average)
Computation: NMR Software
# Classification Version Software Name Author
1 processing ? NMRPipe Delaglio, Grzesiek, Vuister, Zhu, Pfeifer, Bax
2 data analysis ? NMRView Johnson, One Moon Scientific
3 refinement ? Amber Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, Kollm
4 collection ? XwinNMR Bruker Biospin
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