2A0A
Solution Structure of Der f 13, Group 13 Allergen from House Dust Mites
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 3D_15N-separated_NOESY | 1mM Der f 13, U-15N, 13C; 50mM Acetate Buffer pH 4.5; 90% H2O, 10% D2O | 90% H2O/10% D2O | 0 | 4.5 | ambient | 298 | |
| 2 | 3D_13C-separated_NOESY | 1mM Der f 13, U-15N, 13C; 50mM Acetate Buffer pH 4.5; 90% H2O, 10% D2O | 90% H2O/10% D2O | 0 | 4.5 | ambient | 298 | |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | AVANCE | 500 |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | back calculated data agree with experimental NOESY spectrum |
| Conformers Calculated Total Number | 10 |
| Conformers Submitted Total Number | 10 |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | structure solution | CYANA | 1.0.5 | P. Guentert |
| 2 | refinement | Amber | 7.0 | D. A. Pearlman |
