2PXG
NMR Solution Structure of OmlA
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 3D_15N-separated_NOESY | 0.3mM 15N, 13C OmlA, 100mM sodium phosphate buffer, 0.05% NaN3, 95% H2O, 5% D2O | 95% H2O/5% D2O | 5.8 | 1 atm | 298 | ||
| 2 | 3D_13C-separated_NOESY | 0.3mM 15N, 13C OmlA, 100mM sodium phosphate buffer, 0.05% NaN3 | 100% D2O | 5.8 | 1 atm | 298 | ||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Varian | INOVA | 600 |
| 2 | Varian | INOVA | 500 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| torsion angle dynamics | the structures are based on a total of 1115 NOE-derived distance constraints | DYANA |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | structures with the least restraint violations |
| Conformers Calculated Total Number | 20 |
| Conformers Submitted Total Number | 20 |
| Representative Model | 1 (lowest energy) |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | structure solution | DYANA | Guntert, P. et al. | |
| 2 | processing | NMRPipe | Delaglio, F. et al. | |
| 3 | refinement | Discover | Accelrys Inc. | |
| 4 | data analysis | NMRView | Johnson, B.A. et al. | |
