1P5L
HP (2-20) Substitution PHE5 to SER modification in sds-d25 micelles
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 2D NOESY | 1.5MM PEPTIDE; 150MM SDS-D25 | 90% H2O/10% D2O | 6 | 1 atm | 318 | ||
| 2 | DQF-COSY | 1.5MM PEPTIDE; 150MM SDS-D25 | 90% H2O/10% D2O | 6 | 1 atm | 318 | ||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | AVANCE | 400 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| HYBRID DISTANCE GEOMETRY -DYNAMICAL SIMULATED ANNEALING | Felix | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | structures with the lowest energy |
| Conformers Calculated Total Number | 50 |
| Conformers Submitted Total Number | 20 |
| Additional NMR Experimental Information | |
|---|---|
| Details | THIS STRUCTURE WAS DETERMINED USING STANDARD 2D HOMONUCLEAR TECHNIQUES |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | processing | Felix | 95.0 | |
| 2 | collection | XwinNMR | 2.5 | |
| 3 | refinement | CNS | 1.1 | |
