Structure of a Glycosylphosphatidylinositol-anchored Domain from a Trypanosome Variant Surface Glycoprotein
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 2D 1H-1H NOESY | 0.5 mM ILTat1.24 C1-domain, 50 mM sodium phosphate, 150 mM sodium chloride, 0.05 % sodium azide | 90% H2O/10% D2O | 6.0 | ambient atm | 298 | ||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | DRX | 800 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| torsion angle dynamics, simulated annealing | 786 unambiguous and 192 ambiguous distance restraints | Azara |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | structures with the lowest energy |
| Conformers Calculated Total Number | 100 |
| Conformers Submitted Total Number | 35 |
| Representative Model | 1 (closest to the average) |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | processing | Azara | Boucher | |
| 2 | data analysis | ANSIG | Kraulis | |
| 3 | structure solution | ARIA | Linge, O'Donoghue and Nilges | |
| 4 | refinement | ARIA | Linge, O'Donoghue and Nilges | |
