SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 2D 1H-15N HSQC | 1-14 mM [U-100% 1H; U-100% 12C; U-99%1 5N] N-terminal Domain of Enzyme I-3, 1-14 mM [U-99% 15N] EIN EIIAGlc-4, 1-14 mM EIN-5 | 90% H2O/10% D2O | 7.4 | 313.4 | |||
| 2 | 2D 1H-15N HSQC | 1.4-1.5 mM [U-100% 2H; U-100% 12C; U-99% 15N] N-terminal Domain of Enzyme I-6 | 90% H2O/10% D2O | 7.4 | 313.4 | |||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | AVANCE | 800 |
| 2 | Bruker | AVANCE | 600 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| simulated annealing | PIPP | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | structures with the least restraint violations |
| Conformers Calculated Total Number | 90 |
| Conformers Submitted Total Number | 1 |
| Representative Model | 1 (fewest violations) |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | chemical shift assignment | PIPP | 3.5.6 to 3.9.9 | Delaglio, Zhengrong and Bax |
| 2 | data analysis | PIPP | 3.5.6 to 3.9.9 | Delaglio, Zhengrong and Bax |
| 3 | peak picking | NMRPipe | 1.x | Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax |
| 4 | refinement | NMRPipe | ||
