2RUN
Solution Structure of Pre Transmembrane domain
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 2D 1H-1H TOCSY | 0.5 mM Pre transmembrane domain-1, 125 mM [U-99% 2H] DPC-2 | 90% H2O/10% D2O | 4.7 | 315 | |||
| 2 | 2D 1H-1H NOESY | 0.5 mM Pre transmembrane domain-1, 125 mM [U-99% 2H] DPC-2 | 90% H2O/10% D2O | 4.7 | 315 | |||
| 3 | 2D 1H-13C HSQC | 0.5 mM Pre transmembrane domain-1, 125 mM [U-99% 2H] DPC-2 | 90% H2O/10% D2O | 4.7 | 315 | |||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | AVANCE | 600 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| simulated annealing | Sparky | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | target function |
| Conformers Calculated Total Number | 100 |
| Conformers Submitted Total Number | 20 |
| Representative Model | 1 (lowest energy) |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | data analysis | Sparky | 3.113 | Goddard |
| 2 | chemical shift assignment | Sparky | 3.113 | Goddard |
| 3 | structure calculation | CYANA | 2.1 | Guntert, Mumenthaler and Wuthrich |
| 4 | refinement | CYANA | ||
