SOLUTION NMR

NMR Experiment
Experiment Type Sample Contents Ionic Strength Solvent pH Pressure Temprature (K)
1 2D 1H-15N HSQC 0.25 mM [U-100% 13C; U-100% 15N] protein, 95% H2O/5% D2O 0.01 95% H2O/5% D2O 4.7 ambient 318
2 2D 1H-13C HSQC 0.25 mM [U-100% 13C; U-100% 15N] protein, 95% H2O/5% D2O 0.01 95% H2O/5% D2O 4.7 ambient 318
3 3D HNCO 0.25 mM [U-100% 13C; U-100% 15N] protein, 95% H2O/5% D2O 0.01 95% H2O/5% D2O 4.7 ambient 318
4 3D HNCA 0.25 mM [U-100% 13C; U-100% 15N] protein, 95% H2O/5% D2O 0.01 95% H2O/5% D2O 4.7 ambient 318
5 3D HN(CO)CA 0.25 mM [U-100% 13C; U-100% 15N] protein, 95% H2O/5% D2O 0.01 95% H2O/5% D2O 4.7 ambient 318
6 3D 1H-15N NOESY 0.25 mM [U-100% 13C; U-100% 15N] protein, 95% H2O/5% D2O 0.01 95% H2O/5% D2O 4.7 ambient 318
7 3D 1H-13C NOESY 0.25 mM [U-100% 13C; U-100% 15N] protein, 95% H2O/5% D2O 0.01 95% H2O/5% D2O 4.7 ambient 318
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 25
Conformers Submitted Total Number 20
Representative Model 1 (lowest energy)
Computation: NMR Software
# Classification Version Software Name Author
1 structure solution ? CYANA Guntert, Mumenthaler and Wuthrich
2 refinement ? CYANA Guntert, Mumenthaler and Wuthrich
3 chemical shift assignment ? Sparky Goddard
4 data analysis ? Sparky Goddard
5 processing ? NMRPipe Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax
6 processing ? NMRDraw Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax
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