2K3O
Solution structure of the type 2 repetitive domain (TUSP1-RP2) of the egg case silk from Nephila Antipodiana
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 4D_13C/15N-SEPARATED_NOESY | 1 mM [U-99% 13C; U-99% 15N] TUSP1 | 90% H2O/10% D2O | 150mM NaCl | 6.5 | 1 atm | 290 | |
| 2 | 3D HNCA | 1 mM [U-99% 13C; U-99% 15N] TUSP1 | 90% H2O/10% D2O | 150mM NaCl | 6.5 | 1 atm | 290 | |
| 3 | 3D_TOCSY | 1 mM [U-99% 13C; U-99% 15N] TUSP1 | 90% H2O/10% D2O | 150mM NaCl | 6.5 | 1 atm | 290 | |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | DRX | 500 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| torsion angle dynamics | Amber | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | structures with the lowest energy |
| Conformers Calculated Total Number | 100 |
| Conformers Submitted Total Number | 10 |
| Representative Model | 1 (lowest energy) |
| Additional NMR Experimental Information | |
|---|---|
| Details | THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR SPECTROSCOPY |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | Amber | 7.0 | DAVID A. CASE, ET. AL. |
| 2 | structure solution | NMRPipe | 2004 | Frank Daglia |
| 3 | structure solution | NMRView | 5.2.2 | Bruce A. Johnson |
| 4 | structure solution | CYANA | 1.05 | Peter Guntert |
