1BRZ
SOLUTION STRUCTURE OF THE SWEET PROTEIN BRAZZEIN, NMR, 43 STRUCTURES
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | NOESY | 5.2 | 295 | |||||
| 2 | E.COSY | 5.2 | 295 | |||||
| 3 | DQ | 5.2 | 295 | |||||
| 4 | DQF COSY | 5.2 | 295 | |||||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | AM600 | 600 |
| 2 | Bruker | DMX750 | 750 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| DYNAMICAL SIMULATED ANNEALING | REFINEMENT DETAILS CAN BE FOUND IN THE JRNL CITATION ABOVE. REFINED USING FOUR CYCLES OF SIMULATED ANNEALING REFINEMENT IN X-PLOR. | X-PLOR |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | LEAST RESTRAINT VIOLATION |
| Conformers Calculated Total Number | 80 |
| Conformers Submitted Total Number | 43 |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | X-PLOR | 3.843 | BRUNGER |
| 2 | structure solution | X-PLOR | ||
