SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 3D_13C-separated_NOESY | 0.48mM U-15N,13C Ubc1; 25 mM Tris; 1 mM EDTA, 1mM DITHIOTHREITOL, 150 mM NaCl | 90 % H2O, 10% H2O | 150 mM NaCl | 7.5 | Ambient | 308 | |
| 2 | 3D_15N-separated_NOESY | 0.48 mM U-15N Ubc1; 25 mM Tris; 1 mM, 1 mM EDTA, 1mM DTT, 150 mM NaCl | 90% H2O/10% D2O | 150 mM NaCl | 7.5 | Ambient | 308 | |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Varian | INOVA | 800 |
| 2 | Varian | INOVA | 600 |
| 3 | Varian | UNITY | 500 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| simulated annealing | CNS | |
| 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 | refinement | CNS | 1.1 | A.T.Brunger, P.D.Adams, G.M.Clore, W.L.Delano, P.Gros, R.W.Grosse-Kunstleve, J.-S.Jiang, J.Kuszewski, M.Nilges, N.S.Pannu, R.J.Read, L.M.Rice, T.Simonson, G.L.Warren |
| 2 | processing | NMRPipe | 2.1 | F. Delaglio, S. Grzesiek, G. W. Vuister, G. Zhu, J. Pfeifer and A. Bax |
| 3 | data analysis | Pipp/Stapp | 4.3.3 | Garrett, D.S., Powers, R., Gronenborn, A.M. & Clore, G.M |
| 4 | collection | VNMR | 6.1C | Varian Inc |
