1TR4
Solution structure of human oncogenic protein gankyrin
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | TROSY-type HNCA, HN(CO)CA, HNCACB, CBCA(CO)NH, HNCO | ~0.4 mM gankyrin U-15N,13C,70% 2H | 5mM HEPES, 1 uM EDTA, 1mM DTT | < 10 mM salt | 7.4 | ambient | 300 | |
| 2 | 3D_13C-separated_NOESY | ~0.4 mM gankyrin U-15N, 13C | 5mM HEPES, 1 uM EDTA, 1mM DTT | < 10 mM salt | 7.4 | ambient | 300 | |
| 3 | 3D_15N-separated_NOESY | ~0.4 mM gankyrin U-15N | 5mM HEPES, 1 uM EDTA, 1mM DTT | < 10 mM salt | 7.4 | ambient | 300 | |
| 4 | residual dipolar coupling | ~0.4 mM gankyrin U-15N | 5mM HEPES, 1 uM EDTA, 1mM DTT | < 10 mM salt | 7.4 | ambient | 300 | |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | DRX | 800 |
| 2 | Bruker | DMX | 600 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| simulated annealing | XwinNMR | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | structures with the least restraint violations,structures with the lowest energy |
| Conformers Calculated Total Number | 80 |
| Conformers Submitted Total Number | 20 |
| Representative Model | 1 (closest to the average) |
| Additional NMR Experimental Information | |
|---|---|
| Details | Backbone amide residual dipolar coupling experiment was performed in the presence of filamentous Pf1 phage |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | collection | XwinNMR | 3.1 | Bruker |
| 2 | processing | XwinNMR | 3.1 | Bruker |
| 3 | processing | NMRPipe | 1.0 | Delaglio |
| 4 | data analysis | NMRView | 4.0 | Johnson |
| 5 | structure solution | CNS | 1.0 | Brunger |
| 6 | refinement | CNS | 1.0 | Brunger |
