SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 3D_15N-separated_NOESY | 2 mM TFIIS1-111; 10 mM phosphate buffer; 90% H2O, 10%D2O | 90% H2O/10% D2O | 300 mM NaCl | 7.5 | ambient | 273 | |
| 2 | 3D C,N-separated NOESY | 2 mM TFIIS1-111; 10 mM phosphate buffer; 90% H2O, 10%D2O | 90% H2O/10% D2O | 300 mM NaCl | 7.5 | ambient | 273 | |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Varian | INOVA | 500 |
| 2 | Varian | INOVA | 600 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| simulated annealing molecular dynamics | NMRPipe | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | structures with the lowest energy |
| Conformers Calculated Total Number | 20 |
| Conformers Submitted Total Number | 10 |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | processing | NMRPipe | Delaglio | |
| 2 | structure solution | X-PLOR | 3.851, ARIA | Nilges |
| 3 | refinement | X-PLOR | 3.851 | Brunger |














