SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 3D_15N-separated_NOESY | ~1mM U-15N SKLP | 90% H2O, 10% D2O, 100mM KCl pH6.0 | 6.0 | ambient | 303 | ||
| 2 | 3D_13C-separated_NOESY | ~1mM U-13C,15N SKLP | 100% D2O, 100mM KCl pH6.0 | 6.0 | ambient | 303 | ||
| 3 | 2D NOESY | ~1mM unlabeled SKLP | 100% D2O, 100mM KCl pH6.0 | 6.0 | ambient | 303 | ||
| 4 | HMQC-J | ~1mM U-15N SKLP | 90% H2O, 10% D2O, 100mM KCl pH6.0 | 6.0 | ambient | 303 | ||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | DMX | 500 |
| 2 | Bruker | DRX | 600 |
| 3 | Bruker | AVANCE | 800 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| distance geometry simulated annealing | NMRPipe | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | |
| Conformers Calculated Total Number | |
| Conformers Submitted Total Number | 1 |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | processing | NMRPipe | ||
| 2 | structure solution | X-PLOR | ||
| 3 | refinement | X-PLOR | ||
