1U57
NMR structure of the (345-392)Gag sequence from HIV-1
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 2D NOESY | 1mM (211-231)CA-p2-(1-13)NCp7 peptide pH 3.5 | 70% H2O, 30% TFE | 3.5 | ambient | 293 | ||
| 2 | 2D TOCSY | 1mM (211-231)CA-p2-(1-13)NCp7 peptide pH 3.5 | 70% H2O, 30% TFE | 3.5 | ambient | 293 | ||
| 3 | DQF-COSY | 1mM (211-231)CA-p2-(1-13)NCp7 peptide pH 3.5 | 70% H2O, 30% TFE | 3.5 | ambient | 293 | ||
| 4 | 3D NOESY-NOESY | 1mM (211-231)CA-p2-(1-13)NCp7 peptide pH 3.5 | 70% H2O, 30% TFE | 3.5 | ambient | 293 | ||
| 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 of 478 NOE-derived, distance constraints and 92 dihedral angle restraints | UXNMR |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | structures with acceptable covalent geometry |
| Conformers Calculated Total Number | 100 |
| Conformers Submitted Total Number | 19 |
| Representative Model | 2 (fewest violations) |
| Additional NMR Experimental Information | |
|---|---|
| Details | This structure was determined using standard 2D homonuclear techniques. |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | collection | UXNMR | 3.0 | Bruker |
| 2 | processing | UXNMR | 3.0 | bruker |
| 3 | refinement | Discover | 2.9.7 | Accelrys |
