2KDR
Solution structure of HCV NS4B(227-254)
SOLUTION NMR
NMR Experiment | ||||||||
---|---|---|---|---|---|---|---|---|
Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
1 | 2D 1H-1H NOESY | 2mM protein-1 | 50% v/v Trifluoro Ethanol D2OH; 50% v/v H2O | none | 6 | ambient | 298 | |
2 | 2D 1H-1H TOCSY | 2mM protein-1 | 50% v/v Trifluoro Ethanol D2OH; 50% v/v H2O | none | 6 | ambient | 298 | |
3 | 2D 1H-13C HSQC | 2mM protein-1 | 50% v/v Trifluoro Ethanol D2OH; 50% v/v H2O | none | 6 | ambient | 298 |
NMR Spectrometer Information | |||
---|---|---|---|
Spectrometer | Manufacturer | Model | Field Strength |
1 | Bruker | AVANCE | 500 |
NMR Refinement | ||
---|---|---|
Method | Details | Software |
distance geometry, simulated annealing | Sparky |
NMR Ensemble Information | |
---|---|
Conformer Selection Criteria | structures with the least restraint violations |
Conformers Calculated Total Number | 50 |
Conformers Submitted Total Number | 27 |
Representative Model | 1 (closest to the average) |
Computation: NMR Software | ||||
---|---|---|---|---|
# | Classification | Version | Software Name | Author |
1 | data analysis | Sparky | Goddard | |
2 | refinement | XPLOR-NIH | 2.21 | Schwieters, Kuszewski, Tjandra and Clore |
3 | structure solution | X-PLOR | Brunger |