2K8J
Solution structure of HCV p7 tm2
SOLUTION NMR
NMR Experiment | ||||||||
---|---|---|---|---|---|---|---|---|
Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
1 | 2D 1H-1H NOESY | 1 mM p7tm2 | trifluoroethanol/water | none | 7 | ambient | 298 | |
2 | 2D 1H-1H TOCSY | 1 mM p7tm2 | trifluoroethanol/water | none | 7 | ambient | 298 | |
3 | 2D 1H-13C HSQC | 1 mM p7tm2 | trifluoroethanol/water | none | 7 | ambient | 298 |
NMR Spectrometer Information | |||
---|---|---|---|
Spectrometer | Manufacturer | Model | Field Strength |
1 | Varian | UNITYPLUS | 500 |
2 | Varian | INOVA | 800 |
NMR Refinement | ||
---|---|---|
Method | Details | Software |
simulated annealing | VNMR |
NMR Ensemble Information | |
---|---|
Conformer Selection Criteria | structures with the least restraint violations |
Conformers Calculated Total Number | 50 |
Conformers Submitted Total Number | 30 |
Representative Model | 1 (closest to the average) |
Computation: NMR Software | ||||
---|---|---|---|---|
# | Classification | Version | Software Name | Author |
1 | collection | VNMR | Varian | |
2 | refinement | Xplor-NIH | 2.16.0 | Schwieters, Kuszewski, Tjandra and Clore |
3 | structure solution | Xplor-NIH | 2.16.0 | Schwieters, Kuszewski, Tjandra and Clore |
4 | structure solution | VNMR | Varian |