1G6J
STRUCTURE OF RECOMBINANT HUMAN UBIQUITIN IN AOT REVERSE MICELLES
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 3D_13C-separated_NOESY | 4 mg c13/n15 ubiquitin in 13.5 ul of buffer (50mM Sodium acetate, 250mM Sodium Chloride, pH 5.0) and 1 ml D12-pentane | 75mM bis(2-ethyl hexyl) sulfosuccinate in d-pentane | ambient | 293 | |||
| 2 | 3D_15N-separated_NOESY | 4 mg c13/n15 ubiquitin in 13.5 ul of buffer (50mM Sodium acetate, 250mM Sodium Chloride, pH 5.0) and 1 ml D12-pentane | 75mM bis(2-ethyl hexyl) sulfosuccinate in d-pentane | ambient | 293 | |||
| 3 | HNHA | 4 mg n15 ubiquitin in 13.5 ul of buffer (50mM Sodium acetate, 250mM Sodium Chloride, pH 5.0) | 75mM bis(2-ethyl hexyl) sulfosuccinate in d-pentane | ambient | 293 | |||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Varian | INOVA | 750 |
| 2 | Varian | INOVA | 600 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| torsion angle dynamics using DYANA | The structures are based on 1805 NOEs and 63 phi restraints | DYANA |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | lowest target function values |
| Conformers Calculated Total Number | 100 |
| Conformers Submitted Total Number | 32 |
| Representative Model | 25 (closest to the average) |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | DYANA | 1.5 | Guntert, P., Mumenthaler, C., Wuthrich, K. |
| 2 | processing | Felix | 97 | MSI, San Diego, CA |
| 3 | data analysis | XEASY | 1.2 | Bartels, C.X., Guntert, P., Billeter, M., Wuthrich, K. |
