2AE9
Solution Structure of the theta subunit of DNA polymerase III from E. coli
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 3D_13C-separated_NOESY | 600 uM theta U-15N,13C; 10 mM NaPi pH 6.5 10 M EDTA, 5mM NaN3 | 54 % H2O; 6 % D2O; 40% d3- Methanol | 6.5 | ambient | 298 | ||
| 2 | 3D_15N-separated_NOESY | 600 uM theta U-15N,13C; 10 mM NaPi pH 6.5 10 M EDTA, 5mM NaN3 | 54 % H2O; 6 % D2O; 40% d3- Methanol | 6.5 | ambient | 298 | ||
| 3 | 3D_13C-separated_NOESY | 600 uM theta U-15N,13C; 10 mM NaPi pH 6.5 10 M EDTA, 5mM NaN3 | 60% D2O; 40% d4- Methanol | |||||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Varian | INOVA | 500 |
| 2 | Varian | INOVA | 800 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| simulated annealing | VNMR | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | structures with the lowest energy |
| Conformers Calculated Total Number | 100 |
| Conformers Submitted Total Number | 10 |
| Representative Model | 1 (lowest energy) |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | collection | VNMR | 6.1.C | Varian |
| 2 | processing | NMRPipe | 2005 | Delaglio |
| 3 | data analysis | NMRView | 5.0.4 | Johnson |
| 4 | refinement | CNS | 1.1 | Brunger |
| 5 | refinement | ARIA | 1.2 | Nilges |
