2GCZ
Solution Structure of alpha-Conotoxin OmIA
SOLUTION NMR
NMR Experiment | ||||||||
---|---|---|---|---|---|---|---|---|
Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
1 | 2D NOESY | 4.8mM alpha-conotoxin OmIA; 90% H2O, 10% D2O | 90% H2O/10% D2O | 0 | 4.1 | 1 atm | 298 | |
2 | 2D TOCSY | 4.8mM alpha-conotoxin OmIA; 90% H2O, 10% D2O | 90% H2O/10% D2O | 0 | 4.1 | 1 atm | 298 | |
3 | DQF-COSY | 4.8mM alpha-conotoxin OmIA; 90% H2O, 10% D2O | 90% H2O/10% D2O | 0 | 4.1 | 1 atm | 298 | |
4 | 2D NOESY | 4.8mM alpha-conotoxin OmIA; 90% H2O, 10% D2O | 90% H2O/10% D2O | 0 | 4.1 | 1 atm | 288 | |
5 | 2D TOCSY | 4.8mM alpha-conotoxin OmIA; 90% H2O, 10% D2O | 90% H2O/10% D2O | 0 | 4.1 | 1 atm | 288 | |
6 | DQF-COSY | 4.8mM alpha-conotoxin OmIA; 90% H2O, 10% D2O | 90% H2O/10% D2O | 0 | 4.1 | 1 atm | 288 |
NMR Spectrometer Information | |||
---|---|---|---|
Spectrometer | Manufacturer | Model | Field Strength |
1 | Varian | INOVA | 600 |
NMR Refinement | ||
---|---|---|
Method | Details | Software |
simulated annealing | VNMR |
NMR Ensemble Information | |
---|---|
Conformer Selection Criteria | structures with the lowest energy |
Conformers Calculated Total Number | 50 |
Conformers Submitted Total Number | 20 |
Representative Model | 1 (fewest violations) |
Additional NMR Experimental Information | |
---|---|
Details | This structure was determined using standard 2D homonuclear techniques. |
Computation: NMR Software | ||||
---|---|---|---|---|
# | Classification | Version | Software Name | Author |
1 | collection | VNMR | 6.1B | Varian |
2 | data analysis | NMRView | 5.0.4 | Merck & Co Inc |
3 | refinement | CNS | 1.1 |