6LR2
SOLUTION STRUCTURE OF THE YTH DOMAIN IN YTH DOMAIN-2 CONTAINING PROTEIN 2
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 3D_13C,15N-SEPARATED_NOESY SPECTRA | 1.0 mg/mL [U-99% 13C; U-99% 15N] helicase | 90% H2O/10% D2O | 100 mM | 7.0 | 1 atm | 298 | Bruker AVANCE 800 |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | AVANCE | 800 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| simulated annealing | the structures are based on 3191 NOE-derived distance contrrains, 71 main chain dihedral angle constraints based on TALOS program and 51 side chain dihedral constraints based on NOE pattern. | Amber |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | structures with favorable non-bond energy |
| Conformers Calculated Total Number | 200 |
| Conformers Submitted Total Number | 20 |
| Representative Model | 1 (lowest energy) |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | Amber | 12 | Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman |
| 2 | structure calculation | CYANA | 2.0.17 | Guntert, Mumenthaler and Wuthrich |
| 3 | chemical shift assignment | KUJIRA | 0.9820 | N. Kobayashi, T. Kigawa, S. Yokoyama |
| 4 | peak picking | NMRView | 5.0.4 | Johnson, One Moon Scientific |
