2JWH
Structure of a Glycosylphosphatidylinositol-anchored Domain from a Trypanosome Variant Surface Glycoprotein
SOLUTION NMR
NMR Experiment | ||||||||
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Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
1 | 2D 1H-1H NOESY | 0.5 mM ILTat1.24 C2-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 | |||
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Spectrometer | Manufacturer | Model | Field Strength |
1 | Bruker | DRX | 500 |
NMR Refinement | ||
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Method | Details | Software |
torsion angle dynamics, simulated annealing | 586 unambiguous and 42 ambiguous distance restraints | AZARA |
NMR Ensemble Information | |
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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 | ||||
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# | 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 |