2E45
Solution structure of Fe65 WW domain
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 3D_15N-separated_NOESY | 0.65mM Fe65 WW domain U-15N, 13C; 10mM phosphate buffer NA; 90% H2O, 10% D2O | 90% H2O/10% D2O | 7.0 | ambient | 298 | ||
| 2 | HNHA | 0.65mM Fe65 WW domain U-15N, 13C; 10mM phosphate buffer NA; 90% H2O, 10% D2O | 90% H2O/10% D2O | 7.0 | ambient | 298 | ||
| 3 | 3D_13C-separated_NOESY | 0.65mM Fe65 WW domain U-15N, 13C; 10mM phosphate buffer NA; 100% D2O | 100% D2O | 7.0 | ambient | 298 | ||
| 4 | 2D NOESY | 0.65mM Fe65 WW domain U-15N, 13C; 10mM phosphate buffer NA; 100% D2O | 100% D2O | 7.0 | ambient | 298 | ||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | AVANCE | 800 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| simulated annealing | NMRPipe | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | structures with the lowest energy |
| Conformers Calculated Total Number | 50 |
| Conformers Submitted Total Number | 25 |
| Representative Model | 1 (lowest energy) |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | processing | NMRPipe | 2.2 | F. Delaglio, et al. |
| 2 | collection | PIPP | 4.3.2 | D.S. Garret |
| 3 | structure solution | X-PLOR | 3.1f | A.T. Brunger |
| 4 | refinement | X-PLOR | 3.1f | A.T. Brunger |
