2ESX
The structure of the V3 region within gp120 of JR-FL HIV-1 strain (minimized average structure)
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 3D_13C-separated_NOESY | 0.4mM V3JR-FL-447-52D complex U-15N-13C | 5% D2O, 95% H2O | 10mM acetic acid | 5 | 305 | ||
| 2 | 3D_15N-separated_NOESY | 0.4mM V3JR-FL-447-52D complex U-15N | 5% D2O, 95% H2O | 10mM acetic acid | 5 | 305 | ||
| 3 | HNHA | 0.4mM V3JR-FL-447-52D complex U-15N | 5% D2O, 95% H2O | 10mM acetic acid | 5 | 305 | ||
| 4 | 2D-NOESY AROMATIC | 0.4mM V3JR-FL-447-52D complex U-15N-13C | 100% D2O | 10mM acetic acid | 5 | 305 | ||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | DMX | 500 |
| 2 | Bruker | DRX | 800 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| distance geometry simulated annealing | The strcuture is based on 305 restraints, 25 dihedral angles and 2 hydrogen bond | CNS |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | |
| Conformers Calculated Total Number | |
| Conformers Submitted Total Number | 1 |
| Representative Model | 1 (minimized average structure) |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | structure solution | CNS | 1.1 | Brunger |
| 2 | collection | XwinNMR | 3.0 | Bruker |
| 3 | data analysis | NMRView | 5.2.2 | Johnson |
| 4 | refinement | CNS | 1.1 | Brunger |
