2KRN
High resolution structure of the second SH3 domain of CD2AP
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 2D 1H-1H TOCSY | 1 mM SH3-B | 90% H2O/10% D2O | 0 | 6.0 | ambient | 298 | |
| 2 | 2D 1H-1H NOESY | 1 mM SH3-B | 90% H2O/10% D2O | 0 | 6.0 | ambient | 298 | |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Varian | Uniform NMR System | 600 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| simulated annealing | RECOORD | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | structures with the lowest energy |
| Conformers Calculated Total Number | 200 |
| Conformers Submitted Total Number | 10 |
| Representative Model | 1 (lowest energy) |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | structure solution | RECOORD | Nederveen et al | |
| 2 | refinement | RECOORD | Nederveen et al | |
| 3 | noe assignment | CYANA | 2.1 | Guntert, Mumenthaler and Wuthrich |
