2DC2
Solution Structure of PDZ Domain
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 3D_15N-separated_NOESY | 1.0mM 15N, 13C-labeled GOPC PDZ domain, 10mM phosphate buffer (pH 6.1), 4mM EDTA, 10% (v/v) D2O | 90% H2O/10% D2O | 6.1 | 1 atm | 303 | ||
| 2 | 3D_13C-separated_NOESY | 1.0mM 15N, 13C-labeled GOPC PDZ domain, 10mM phosphate buffer (pH 6.1), 4mM EDTA, 10% (v/v) D2O | 90% H2O/10% D2O | 6.1 | 1 atm | 303 | ||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | DMX | 500 |
| 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 | processing | NMRPipe | 2.2 | F.Delaglio |
| 2 | data analysis | Sparky | 3 | T.D.Goddard and D.G.Kneller |
| 3 | structure solution | CNS | 1.1 | A.T.Brunger |
| 4 | data analysis | CSI | 1.0 | David S. Wishart |
| 5 | data analysis | MOLMOL | 2K.2 | Koradi |
| 6 | refinement | CNS | 1.1 | A.T.Brunger |
