2AP5
Solution Structure of the C27A ScYLV P1-P2 Frameshifting Pseudoknot, Average Structure
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 2D NOESY | 2.7mM C27A ScYLV, 100mM KCl, 5mM MgCl2 | 90% H2O/10% D2O | 100mM KCl, 5mM MgCl2 | 6.0 | ambient | 283 | |
| 2 | 2D NOESY | 2.7mM C27A ScYLV, 100mM KCl, 5mM MgCl2 | 100% D2O | 100mM KCl, 5mM MgCl2 | 6.0 | ambient | 298 | |
| 3 | 2D TOCSY | 2.7mM C27A ScYLV, 100mM KCl, 5mM MgCl2 | 100% D2O | 100mM KCl, 5mM MgCl2 | 6.0 | ambient | 298 | |
| 4 | TROSY | 2.7mM C27A ScYLV, 100mM KCl, 5mM MgCl2, 15 mg/ml PF1 phage | 100% D2O | 100mM KCl, 5mM MgCl2 | 6.0 | ambient | 298 | |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Varian | INOVA | 500 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| simulated annealing starting with random coordinates followed by refinement with residual dipolar couplings | NMRPipe | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | |
| Conformers Calculated Total Number | |
| Conformers Submitted Total Number | 1 |
| Representative Model | 1 (minimized average structure) |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | processing | NMRPipe | Mac OS X version | F. Delaglio, S. Grzesiek, G. W. Vuister, G. Zhu, J. Pfeifer and A. Bax |
| 2 | data analysis | Sparky | 3 | T. D. Goddard and D. G. Kneller |
| 3 | structure solution | XPLOR-NIH | 2.10 | G. Marius Clore , John Kuszewski, Charles D. Schwieters, and Nico Tjandra |
| 4 | refinement | XPLOR-NIH | 2.10 | G. Marius Clore , John Kuszewski, Charles D. Schwieters, and Nico Tjandra |
