1YTR
NMR structure of plantaricin a in dpc micelles, 20 structures
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | NOESY | 2.9mM PlnA in 100mM DPC | 10% D2O, 90% H20 | 0 | 4 | ambient | 298 | |
| 2 | TOCSY | 2.9mM PlnA in 100mM DPC | 10% D2O, 90% H20 | 0 | 4 | ambient | 298 | |
| 3 | DQCOSY | 2.9mM PlnA in 100mM DPC | 10% D2O, 90% H20 | 0 | 4 | ambient | 298 | |
| 4 | 1H-15N HSQC | 2.9mM PlnA in 100mM DPC | 10% D2O, 90% H20 | 0 | 4 | ambient | 298 | |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Varian | INOVA | 800 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| torsion angle dynamics | CYANA | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | lowest energy |
| Conformers Calculated Total Number | 100 |
| Conformers Submitted Total Number | 20 |
| Representative Model | 20 (lowest energy) |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | CYANA | 1.1 | Guntert P |
| 2 | structure solution | CYANA | ||
| 3 | structure solution | TALOS SIMULATED ANNEALING | ANNEALING | |
