5UY2
peptide 38146 derived from fragment 41-60 of Plasmodium falciparum Thrombospondin-Related Sporozoite Protein (TRSP)
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 3 | 2D DFQ-COSY, 2D 1H-1H TOCSY, 2D 1H-1H NOESY | 16.6 mg/mL 38145 | trifluoroethanol/water | NULL | 3.7 | AMBIENT | 295 | Bruker DRX 600 |
| 4 | 2D 1H-1H TOCSY | 16.6 mg/mL 38145 | trifluoroethanol/water | NULL | 3.7 | AMBIENT | 285 | Bruker DRX 600 |
| 6 | 2D 1H-1H TOCSY | 16.6 mg/mL 38145 | trifluoroethanol/water | NULL | 3.7 | AMBIENT | 305 | Bruker DRX 600 |
| 5 | 2D 1H-1H TOCSY | 16.6 mg/mL 38145 | trifluoroethanol/water | NULL | 3.7 | AMBIENT | 315 | Bruker DRX 600 |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | DRX | 600 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| DGSA-DISTANCE GEOMETRY SIMULATED A | TopSpin | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | structures with the lowest energy |
| Conformers Calculated Total Number | 50 |
| Conformers Submitted Total Number | 24 |
| Representative Model | 1 (lowest energy) |
| Additional NMR Experimental Information | |
|---|---|
| Details | NULL |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | TopSpin | ||
| 2 | structure solution | Insight II | ||
