2BN6
P-Element Somatic Inhibitor Protein
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | NOESY | 93% H2O, 7% D2O | 100MM NACL, 10MM SODIUM PHOSPHATE | 6.5 | 1.0 atm | 290.0 | ||
| 2 | TOCSY | 93% H2O, 7% D2O | 100MM NACL, 10MM SODIUM PHOSPHATE | 6.5 | 1.0 atm | 290.0 | ||
| 3 | 2D 1H-15N HSQC | 93% H2O, 7% D2O | 100MM NACL, 10MM SODIUM PHOSPHATE | 6.5 | 1.0 atm | 290.0 | ||
| 4 | 3D 1H-15N NOESY-HSQC | 93% H2O, 7% D2O | 100MM NACL, 10MM SODIUM PHOSPHATE | 6.5 | 1.0 atm | 290.0 | ||
| 5 | 3D 1H-15N TOCSY-HSQC | 93% H2O, 7% D2O | 100MM NACL, 10MM SODIUM PHOSPHATE | 6.5 | 1.0 atm | 290.0 | ||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | AVANCE | 800 |
| 2 | Bruker | DRX | 500 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| SIMULATED ANNEAING | REFINEMENT DETAILS CAN BE FOUND IN THE JRNL CITATION ABOVE | CNS |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | LOW NOE ENERGY |
| Conformers Calculated Total Number | 50 |
| Conformers Submitted Total Number | 29 |
| Representative Model | 1 (n/a) |
| Additional NMR Experimental Information | |
|---|---|
| Details | THE STRUCTURE WAS DETERMINED USING 15N LABELLED PROTEIN. |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | CNS | BRUNGER,ADAMS,CLORE,DELANO,GROS, GROSSE- KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU,READ, RICE,SIMONSON,WARREN | |
| 2 | structure solution | CNS | ||
