2MBO
K11-linked Diubiquitin average solution structure at pH 6.8, 0 mM NaCl
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 2D 1H-15N IPAP HSQC | 75 uM [U-99% 15N] ubiquitin, 20 mM sodium phosphate | 93% H2O/7% D2O | 6.8 | ambient | 296 | ||
| 2 | 2D 1H-15N HSQC | 75 uM [U-99% 15N] ubiquitin, 20 mM sodium phosphate | 93% H2O/7% D2O | 6.8 | ambient | 296 | ||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | AVANCE | 600 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| in-house RDC (orientation) and MTSL (distance) | Ub/Ub orientation determined from RDCs via alignment tensors, and z-distance refined using site-directed spin labeling distance constraints (MTSL on distal position 36) | Sparky |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | target function |
| Conformers Calculated Total Number | 1 |
| Conformers Submitted Total Number | 1 |
| Representative Model | 1 (closest to the average) |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | data analysis | Sparky | Goddard | |
| 2 | collection | Sparky | Goddard | |
| 3 | processing | Sparky | Goddard | |
| 4 | data analysis | Sparky | Bruker Biospin | |
| 5 | collection | Sparky | Bruker Biospin | |
| 6 | processing | Sparky | Bruker Biospin | |
| 7 | data analysis | Sparky | Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax | |
| 8 | collection | Sparky | Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax | |
| 9 | processing | Sparky | Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax | |
| 10 | refinement | in-house | ||
