2ROK
Solution structure of the cap-binding domain of PARN complexed with the cap analog
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 3D 1H-13C NOESY | 0.5 mM [U-100% 13C; U-100% 15N] PARN, 2.5 mM M7GpppG | 90% H2O/10% D2O | 120 | 7.0 | ambient | 298 | |
| 2 | 3D 1H-15N NOESY | 0.5 mM [U-100% 13C; U-100% 15N] PARN, 2.5 mM M7GpppG | 90% H2O/10% D2O | 120 | 7.0 | ambient | 298 | |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | AVANCE | 800 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| torsion angle dynamics, simulated annealing | NMRPipe | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | structures with the lowest energy |
| Conformers Calculated Total Number | 40 |
| Conformers Submitted Total Number | 20 |
| Representative Model | 1 (lowest energy) |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | processing | NMRPipe | 20060702 | Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax |
| 2 | data analysis | NMRView | 5.0.4 | Johnson, One Moon Scientific |
| 3 | peak picking | NMRView | 5.0.4 | Johnson, One Moon Scientific |
| 4 | collection | XwinNMR | 3.5 | Bruker Biospin |
| 5 | data analysis | KUJIRA | 0.9825 | Naohiro Kobayashi |
| 6 | chemical shift assignment | KUJIRA | 0.9825 | Naohiro Kobayashi |
| 7 | structure solution | CYANA | 2.1 | Guntert, Mumenthaler and Wuthrich |
| 8 | refinement | Amber | 9 | Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, Kollm |
