2KSO
EphA2:SHIP2 SAM:SAM complex
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 3D 1H-15N NOESY | 0.6 mM [U-100% 13C; U-100% 15N] entity_1-1, 0.9 mM entity_2-2 | 90% H2O/10% D2O | 0.1 | 6.8 | ambient atm | 300 | |
| 2 | 3D 1H-15N NOESY | 0.9 mM entity_1-3, 0.6 mM [U-100% 13C; U-100% 15N] entity_2-4 | 90% H2O/10% D2O | 0.1 | 6.8 | ambient atm | 300 | |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | Avance | 800 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| simulated annealing | standard protocol | X-PLOR_NIH |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | structures with the least restraint violations |
| Conformers Calculated Total Number | 100 |
| Conformers Submitted Total Number | 15 |
| Representative Model | 1 (fewest violations) |
| Additional NMR Experimental Information | |
|---|---|
| Details | full list to be completed |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | X-PLOR_NIH | Schwieters, Kuszewski, Tjandra and Clore | |
