SOLUTION NMR

NMR Experiment
Experiment Type Sample Contents Ionic Strength Solvent pH Pressure Temprature (K)
1 2D 1H-15N HSQC 1 mM [U-100% 13C; U-100% 15N] TRIS, 90% H2O/10% D2O 0.02 90% H2O/10% D2O 7.0 ambient 310
2 3D CBCA(CO)NH 1 mM [U-100% 13C; U-100% 15N] TRIS, 90% H2O/10% D2O 0.02 90% H2O/10% D2O 7.0 ambient 310
3 3D HNCACB 1 mM [U-100% 13C; U-100% 15N] TRIS, 90% H2O/10% D2O 0.02 90% H2O/10% D2O 7.0 ambient 310
NMR Spectrometer Information
Spectrometer Manufacturer Model Field Strength
1 Bruker AVANCE 800
NMR Refinement
Method Details Software
simulated annealing ? 1
NMR Ensemble Information
Conformer Selection Criteria structures with the lowest energy
Conformers Calculated Total Number 200
Conformers Submitted Total Number 10
Representative Model 1 (lowest energy)
Computation: NMR Software
# Classification Version Software Name Author
1 processing ? NMRPipe Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax
2 data analysis ? Sparky Goddard
3 refinement ? CNS Brunger, Adams, Clore, Gros, Nilges and Read
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