SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | TRIPLE RESONANCE | 1.2 mM [U-100% 13C; U-100% 15N; 80% 2H] Integrin alpha-IIb light chain, 1.2 mM [U-100% 13C; U-100% 15N; 80% 2H] Integrin beta-3, 95% H2O/5% D2O | 95% H2O/5% D2O | 0.025 | 7.4 | ambient | 301.2 | |
| 2 | NOESY, 13C/15N-edited | 1.2 mM [U-100% 13C; U-100% 15N; 80% 2H] Integrin alpha-IIb light chain, 1.2 mM [U-100% 13C; U-100% 15N; 80% 2H] Integrin beta-3, 95% H2O/5% D2O | 95% H2O/5% D2O | 0.025 | 7.4 | ambient | 301.2 | |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | AVANCE | 700 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| simulated annealing | X-PLOR NIH | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | all calculated structures submitted |
| Conformers Calculated Total Number | 21 |
| Conformers Submitted Total Number | 21 |
| Representative Model | 1 (minimized average structure) |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | structure solution | X-PLOR NIH | Schwieters, Kuszewski, Tjandra and Clore | |
| 2 | refinement | X-PLOR NIH | Schwieters, Kuszewski, Tjandra and Clore | |
