1UNC
Solution structure of the human villin C-terminal headpiece subdomain
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | NOESY | 4.3 | 1 atm | 294 | ||||
| 2 | TOCSY | 4.3 | 1 atm | 294 | ||||
| 3 | DQF-COSY | 4.3 | 1 atm | 294 | ||||
| 4 | E.COSY | 4.3 | 1 atm | 294 | ||||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | Avance | 500 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| torsion angle dynamics | AMBER FORCEFIELD REFINEMENT USING SIMULATED ANNEALING | INSIGHT2 |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | target function |
| Conformers Calculated Total Number | 500 |
| Conformers Submitted Total Number | 25 |
| Additional NMR Experimental Information | |
|---|---|
| Details | THE STRUCTURE WAS DETERMINED USING 2D-1H NMR |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | INSIGHT2 | ACCELRYS | |
| 2 | structure solution | DYANA | ||
