2AN7
Solution structure of the bacterial antidote ParD
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 3D_13C-separated_NOESY | 0.6mM ParD U-15N,13C; 20mM phosphate buffer pH 6.0; 50mM KCL, 0.1% NaN3, 90% H2O, 10% D2O | 90% H2O/10% D2O | 180mM | 6.0 | ambient | 298 | |
| 2 | 3D_15N-separated_NOESY | 0.6mM ParD U-15N; 20mM phosphate buffer pH 6.0; 50mM KCL, 0.1% NaN3, 90% H2O, 10% D2O | 90% H2O/10% D2O | 180mM | 6.0 | ambient | 298 | |
| 3 | 13C,15N-edited, 13C,15N-filtered NOESY-HSQC | 0.3mM ParD U-15N, 13C + 0.3mM ParD unlabeled; 20mM phosphate buffer pH 6.0; 50mM KCL, 0.1% NaN3, 90% H2O, 10% D2O | 90% H2O/10% D2O | 180mM | 6.0 | ambient | 298 | |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Varian | INOVA | 600 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| simulated annealing | CNS | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | structures with the lowest energy |
| Conformers Calculated Total Number | 150 |
| Conformers Submitted Total Number | 24 |
| Representative Model | 1 (closest to the average) |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | CNS | 1.1 | |
| 2 | structure solution | CNS | 1.1 | A.Brunger et al. |
| 3 | processing | NMRPipe | 2005 | F.Delaglio |
| 4 | data analysis | NMRView | 4.6 | B.Johnson |
