2ADZ
solution structure of the joined PH domain of alpha1-syntrophin
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 3D_15N-separated_NOESY | 1mM protein 15N; 100mM potassium phosphate pH 7.0 | 90% H2O/10% D2O | 7.0 | ambient | 303 | ||
| 2 | 3D_13C-separated_NOESY | 1mM protein 15N, 13C; 100mM potassium phosphate pH 7.0 | 99.9% D2O | 7.0 | ambient | 303 | ||
| 3 | 2D NOESY | 1mM unlabelled protein; 100mM potassium phosphate pH 7.0 | 99.9% D2O | 7.0 | ambient | 303 | ||
| 4 | 2D TOCSY | 1mM unlabelled protein; 100mM potassium phosphate pH 7.0 | 99.9% D2O | 7.0 | ambient | 303 | ||
| 5 | hcch_tocsy | 1mM protein 15N, 13C; 100mM potassium phosphate pH 7.0 | 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 | the structures are based on a total of 1940 restraints, 1776 are NOE-derived distance constraints, 84 dihedral angle restraints,80 distance restraints from hydrogen bonds. | 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 | Brunger |
