1Z86
Solution structure of the PDZ domain of alpha-syntrophin
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | HNCO,HNCA, HN(CO)CA, HNCACB, CBCA(CO)NH | 1mM PDZ domain of alpha1-syntrophin U-15N, 13C; 100mM potassium phosphate; 90% H2O,10% D2O | 90% H2O/10% D2O | 7.0 | ambient | 303 | ||
| 2 | 3D_15N-separated_NOESY | 1mM PDZ domain of alpha1-syntrophin U-15N; 100mM potassium phosphate; 90% H2O,10% D2O | 90% H2O/10% D2O | 7.0 | ambient | 303 | ||
| 3 | 3D_13C-separated_NOESY | 1mM PDZ domain of alpha1-syntrophin U-15N, 13C; 100mM potassium phosphate; 99.9% D2O | 99.9% D2O | 7.0 | ambient | 303 | ||
| 4 | 2D NOESY | 1mM PDZ domain of alpha1-syntrophin; 100mM potassium phosphate; 99.9% D2O | 99.9% D2O | 7.0 | ambient | 303 | ||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Varian | INOVA | 750 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| simulated annealing | CNS | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | structures with the lowest energy |
| Conformers Calculated Total Number | 200 |
| Conformers Submitted Total Number | 20 |
| Representative Model | 1 (lowest energy) |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | CNS | 1.1 | Bruger, A.T. |
