2ADT
NMR structure of a 30 kDa GAAA tetraloop-receptor complex.
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 2D NOESY | All NMR samples were between 0.5 and 2.0 mM RNA,100% D2O | 100% D2O | ~50 mM NaCl | 6.8 | 1 atm | 303 | |
| 2 | 2D TOCSY | All NMR samples were between 0.5 and 2.0 mM RNA,100% D2O | 100% D2O | ~50 mM NaCl | 6.8 | 1 atm | 303 | |
| 3 | 3D_13C-separated_NOESY | All NMR samples were between 0.5 and 2.0 mM RNA,100% D2O | 100% D2O | ~50 mM NaCl | 6.8 | 1 atm | 303 | |
| 4 | 2D NOESY | All NMR samples were between 0.5 and 2.0 mM RNA | 10% D2O, 90 H2O | ~50 Mm Na Cl | 6.8 | 1 atm | 283 | |
| 5 | HNN-COSY | All NMR samples were between 0.5 and 2.0 mM RNA | 10% D2O, 90 H2O | ~50 Mm Na Cl | 6.8 | 1 atm | 283 | |
| 6 | HCCH-TOCSY | All NMR samples were between 0.5 and 2.0 mM RNA,100% D2O | 100% D2O | ~50 mM NaCl | 6.8 | 1 atm | 303 | |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | DMX | 600 |
| 2 | Bruker | DMX | 750 |
| 3 | Varian | INOVA | 600 |
| 4 | Varian | INOVA | 800 |
| 5 | Varian | INOVA | 900 |
| 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 | collection | XwinNMR | 2.6 | Bruker Biospin |
| 2 | structure solution | CNS | 1.0 | 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 |
| 3 | structure solution | X-PLOR-NIH | 2.11 | Schwieters, C. D., Kuszewski, J. J., Tjandra, N. |
| 4 | processing | NMRPipe | 2.3 | Delaglio, F., Grzesiek, S., Vuister, G. W., Zhu, G., |
| 5 | data analysis | Sparky | 3.111 | T. D. Goddard and D. G. Kneller |
| 6 | refinement | X-PLOR-NIH | 2.11 | Schwieters, C. D., Kuszewski, J. J., Tjandra, N. |
