1M8L
NMR structure of the HIV-1 Regulatory Protein Vpr
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 2D NOESY | 1 mM Vpr 70% H2O, 30% CD3CN pH 2.6 | 70% H2O, 30% CD3CN | 2.6 | ambient | 303 | ||
| 2 | 2D TOCSY | 1 mM Vpr 70% H2O, 30% CD3CN pH 2.6 | 70% H2O, 30% CD3CN | 2.6 | ambient | 303 | ||
| 3 | HSQC-NOESY | 1 mM Vpr 70% H2O, 30% CD3CN pH 2.6 | 70% H2O, 30% CD3CN | 2.6 | ambient | 303 | ||
| 4 | HSQC-TOCSY | 1 mM Vpr 70% H2O, 30% CD3CN pH 2.6 | 70% H2O, 30% CD3CN | 2.6 | ambient | 303 | ||
| 5 | 3D HSQC-NOESY | 1 mM Vpr 70% H2O, 30% CD3CN pH 2.6 | 70% H2O, 30% CD3CN | 2.6 | ambient | 303 | ||
| 6 | 3D HSQC-TOCSY | 1 mM Vpr 70% H2O, 30% CD3CN pH 2.6 | 70% H2O, 30% CD3CN | 2.6 | ambient | 303 | ||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | AVANCE | 600 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| simulated annealing | the structures are based on a total 1115 restraints | UXNMR |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | structures with the lowest energy |
| Conformers Calculated Total Number | 100 |
| Conformers Submitted Total Number | 1 |
| Representative Model | 1 (lowest energy) |
| Additional NMR Experimental Information | |
|---|---|
| Details | This structure was determined using standard 2D and 3D homonuclear and heteronuclear techniques |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | collection | UXNMR | 3.0 | Bruker |
| 2 | data analysis | UXNMR | 3.0 | Bruker |
| 3 | refinement | Discover | 98.0 | msi |
