7Z07
Solution NMR structure of N-acetylglucosaminyltransferase V (GnTV) G26P mutant TMD
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 2D 1H-1H NOESY | 0.5 mM GNTV_G26P | trifluoroethanol/water | 1 | 7.0 | 1 atm | 300 | Bruker AVANCE III 600 |
| 2 | 2D 1H-1H TOCSY | 0.5 mM GNTV_G26P | trifluoroethanol/water | 1 | 7.0 | 1 atm | 300 | Bruker AVANCE III 600 |
| 3 | 2D 1H-13C HSQC | 0.5 mM GNTV_G26P | trifluoroethanol/water | 1 | 7.0 | 1 atm | 300 | Bruker AVANCE III 600 |
| 4 | 2D 1H-15N HSQC | 0.5 mM GNTV_G26P | trifluoroethanol/water | 1 | 7.0 | 1 atm | 300 | Bruker AVANCE III 600 |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | AVANCE III | 600 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| simulated annealing | CNS | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | structures with the lowest energy |
| Conformers Calculated Total Number | 400 |
| Conformers Submitted Total Number | 50 |
| Representative Model | 1 (lowest energy) |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | CNS | Brunger A. T. et.al. | |
| 2 | structure calculation | ARIA | Linge, O'Donoghue and Nilges | |
| 3 | chemical shift assignment | CcpNmr Analysis | Vranken WF, Boucher W, Stevens TJ, Fogh RH, Pajon A, Llinas M, Ulrich EL, Markley JL, Ionides J, Laue ED | |
| 4 | peak picking | CcpNmr Analysis | Vranken WF, Boucher W, Stevens TJ, Fogh RH, Pajon A, Llinas M, Ulrich EL, Markley JL, Ionides J, Laue ED | |
