7BWO
Consensus chitin binding protein
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 2D 1H-1H NOESY | 0.7 mM NA protein | 90% H2O/10% D2O | 500 mM | 6.5 | 1 atm | 278 | Bruker AM 700 |
| 2 | 2D 1H-1H TOCSY | 0.7 mM NA protein | 90% H2O/10% D2O | 500 mM | 6.5 | 1 atm | 278 | Bruker AM 700 |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | AM | 700 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| simulated annealing | hydrogen bond restraints were included in .lol file | CYANA |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | structures with the lowest energy |
| Conformers Calculated Total Number | 100 |
| Conformers Submitted Total Number | 10 |
| Representative Model | 1 (lowest energy) |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | processing | TopSpin | Bruker Biospin | |
| 2 | structure calculation | CYANA | Guntert, Mumenthaler and Wuthrich | |
| 3 | chemical shift assignment | Sparky | Goddard | |
| 4 | peak picking | Sparky | Goddard | |
| 5 | refinement | CYANA | Guntert, Mumenthaler and Wuthrich | |
