1P98
High-resolution NMR structure of the Ubl-domain of HHR23A
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 2D NOESY | 2mM ubiquitin-like domain of HHR23A, unlabeled | 50mM sodium phosphate, 100mM sodium chloride, pH 6.5, 5% D2O | 150mM | 6.5 | ambient | 300 | |
| 2 | 3D_13C-separated_NOESY | 2mM ubiquitin-like domain of HHR23A U-15N,13C | 50mM sodium phosphate, 100mM sodium chloride, pH 6.5, 5% D2O | 150mM | 6.5 | ambient | 300 | |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | DRX | 500 |
| 2 | Bruker | DRX | 600 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| simulated annealing | AURELIA | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | structures with the lowest energy |
| Conformers Calculated Total Number | 120 |
| Conformers Submitted Total Number | 11 |
| Representative Model | 1 (lowest energy) |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | data analysis | AURELIA | 2.8.9 | Neidig, P. |
| 2 | processing | XwinNMR | 2.5 | Bruker Karlsruhe |
| 3 | structure solution | X-PLOR | 3.1 | Brunger |
| 4 | refinement | X-PLOR | 3.1 | Brunger |
