SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 2D NOESY | 4mM cytochrome b5 triple mutant(E48A/E56A/D60A) | 90% H2O/10% D2O | 7.0 | 1 atm | 303 | ||
| 2 | DQF-COSY | 4mM cytochrome b5 triple mutant(E48A/E56A/D60A) | 90% H2O/10% D2O | 7.0 | 1 atm | 303 | ||
| 3 | TOCSY | 4mM cytochrome b5 triple mutant(E48A/E56A/D60A) | 90% H2O/10% D2O | 7.0 | 1 atm | 303 | ||
| 4 | 2D NOESY | 4mM cytochrome b5 triple mutant(E48A/E56A/D60A) | 90% H2O/10% D2O | 7.0 | 1 atm | 303 | ||
| 5 | DQF-COSY | 4mM cytochrome b5 triple mutant(E48A/E56A/D60A) | 90% H2O/10% D2O | 7.0 | 1 atm | 303 | ||
| 6 | TOCSY | 4mM cytochrome b5 triple mutant(E48A/E56A/D60A) | 90% H2O/10% D2O | 7.0 | 1 atm | 303 | ||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | DMX | 600 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| distance geometry simulated annealing molecular dynamics | the structures are based on a total of 1522 meaningful NOE-derived distance constraints, together with 190 pseudocontact shift constraints. | DYANA |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | Minimized Average Structure |
| Conformers Calculated Total Number | 36 |
| Conformers Submitted Total Number | 1 |
| Additional NMR Experimental Information | |
|---|---|
| Details | This structure was determined using standard 2D homonuclear techniques. |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | structure solution | DYANA | ||
| 2 | processing | XwinNMR | ||
| 3 | data analysis | AURELIA | ||
| 4 | structure solution | pseudyana | ||
| 5 | data analysis | XEASY | ||
| 6 | refinement | Amber | ||
