2KB4
NMR structure of the unphosphorylated form of OdhI, OdhI.
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 3D 1H-15N NOESY | 0.3 mM [U-100% 15N] OdhI | 95% H2O/5% D2O | 0.15 | 6.2 | ambient | 293 | |
| 2 | 3D 1H-15N TOCSY | 0.3 mM [U-100% 15N] OdhI | 95% H2O/5% D2O | 0.15 | 6.2 | ambient | 293 | |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | AVANCE | 600 |
| 2 | Bruker | AVANCE | 500 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| DGSA-distance geometry simulated annealing | RECOORD Procedure | CNS |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | structures with the lowest energy |
| Conformers Calculated Total Number | 30 |
| Conformers Submitted Total Number | 30 |
| Representative Model | 1 (closest to the average) |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | CNS | 1.2 | Brunger, Adams, Clore, Gros, Nilges and Read |
