SOLUTION NMR

NMR Experiment
Experiment Type Sample Contents Ionic Strength Solvent pH Pressure Temprature (K)
1 2D 1H-15N HSQC 0.7 mM [U-100% 13C; U-100% 15N] protein, 90% H2O/10% D2O 0.3 90% H2O/10% D2O 7.0 ambient 298
2 2D 1H-13C HSQC 0.7 mM [U-100% 13C; U-100% 15N] protein, 90% H2O/10% D2O 0.3 90% H2O/10% D2O 7.0 ambient 298
3 4,3D, GFT HNNCABCA 0.7 mM [U-100% 13C; U-100% 15N] protein, 90% H2O/10% D2O 0.3 90% H2O/10% D2O 7.0 ambient 298
4 4,3D, GFT CABCACONNH 0.7 mM [U-100% 13C; U-100% 15N] protein, 90% H2O/10% D2O 0.3 90% H2O/10% D2O 7.0 ambient 298
5 4,3D, GFT HCCH COSY 0.7 mM [U-100% 13C; U-100% 15N] protein, 90% H2O/10% D2O 0.3 90% H2O/10% D2O 7.0 ambient 298
6 3D, 15N-13C RESOLVEDSIMULTANIOUS NOESY 0.7 mM [U-100% 13C; U-100% 15N] protein, 90% H2O/10% D2O 0.3 90% H2O/10% D2O 7.0 ambient 298
7 4,3D, GFT HAHB(CABCA)CONNH 0.7 mM [U-100% 13C; U-100% 15N] protein, 90% H2O/10% D2O 0.3 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 20
Representative Model 1 (lowest energy)
Computation: NMR Software
# Classification Version Software Name Author
1 chemical shift assignment ? AutoAssign Zimmerman, Moseley, Kulikowski and Montelione
2 structure solution ? AutoStructure Huang, Tejero, Powers and Montelione
3 refinement ? CNS Brunger, Adams, Clore, Gros, Nilges and Read
4 refinement ? CYANA Guntert, Mumenthaler and Wuthrich
5 peak picking ? XEASY Bartels et al.
6 processing ? NMRPipe Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax
7 data analysis ? TALOS Cornilescu, Delaglio and Bax
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