2K84
Solution Structure of the equine infectious anemia virus p9 GAG protein
SOLUTION NMR
NMR Experiment | ||||||||
---|---|---|---|---|---|---|---|---|
Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
1 | 2D 1H-1H TOCSY | 2-3 mM p9 (22-51) | 50% H2O/50% CF3CD2OH | 3 | ambient | 300 | ||
2 | 2D 1H-1H NOESY | 2-3 mM p9 (22-51) | 50% H2O/50% CF3CD2OH | 3 | ambient | 300 |
NMR Spectrometer Information | |||
---|---|---|---|
Spectrometer | Manufacturer | Model | Field Strength |
1 | Bruker | DMX | 600 |
NMR Refinement | ||
---|---|---|
Method | Details | Software |
simulated annealing | Dynamic annealing with NOE constraints using CNS program | AURELIA |
NMR Ensemble Information | |
---|---|
Conformer Selection Criteria | structures with the least restraint violations |
Conformers Calculated Total Number | 100 |
Conformers Submitted Total Number | 20 |
Representative Model | 1 (minimized average structure) |
Computation: NMR Software | ||||
---|---|---|---|---|
# | Classification | Version | Software Name | Author |
1 | chemical shift assignment | AURELIA | Neidig, Geyer, Gorler, Antz, Saffrich, Beneicke, Kalbitzer | |
2 | refinement | CNS | 1.0 |