2NPB
NMR solution structure of mouse SelW
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 3D_15N-separated_NOESY | 1mM SelW U-15N,13C; 25mM phosphate buffer, 50mM NaCl, 2.5mM DTT; 90% H2O, 10% D2O | 90% H2O/10% D2O | 50mM NaCl | 5.1 | ambient | 298 | |
| 2 | 3D_13C-separated_NOESY | 1mM SelW U-15N,13C; 25mM phosphate buffer, 50mM NaCl, 2.5mM DTT; 99.9% D2O | 99.9% D2O | 50mM NaCl | 5.1 | ambient | 298 | |
| 3 | 2D NOESY | 1mM SelW U-15N,13C; 25mM phosphate buffer, 50mM NaCl, 2.5mM DTT; 90% H2O, 10% D2O | 90% H2O/10% D2O | 50mM NaCl | 5.1 | ambient | 298 | |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | AVANCE | 600 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| distance geometry, simulated annealing, energy minimisation, torsion angle dynamics | XwinNMR | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | target function |
| Conformers Calculated Total Number | 96 |
| Conformers Submitted Total Number | 20 |
| Representative Model | 1 (fewest violations) |
| Additional NMR Experimental Information | |
|---|---|
| Details | The structure was determined using triple-resonance NMR spectroscopy. |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | collection | XwinNMR | 3.5 | Bruker |
| 2 | data analysis | CARA | 1.4 | Keller |
| 3 | structure solution | CYANA | 2.1 | Guntert |
| 4 | refinement | Amber | 9 | Case |
