1J3C
Solution structure of the C-terminal domain of the HMGB2
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 3D_13C-separated_NOESY | 1mM C-terminal Domain U-15N,13C; 50mM Acetate buffer Na; | 95% H2O/5% D2O | 5.0 | ambient | 298 | ||
| 2 | 3D_15N-separated_NOESY | 1mM C-terminal Domain U-15N; 50mM Acetate buffer Na; | 95% H2O/5% D2O | 5.0 | ambient | 298 | ||
| 3 | 2D NOESY | 1mM C-terminal Domain non-label; 50mM Acetate buffer Na | 100% D2O | 5.0 | ambient | 298 | ||
| 4 | CT-HMQC | 1mM C-terminal Domain U-15N; 50mM Acetate buffer Na; | 95% H2O/5% D2O | 5.0 | ambient | 298 | ||
| 5 | IPAP | 1mM C-terminal Domain U-15N; 50mM phosphate buffer Na; | 87.5% H2O, 5% D2O, 7.5 % bicelle | 6.4 | ambient | 303 | ||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Varian | INOVA | 750 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| simulated annealing | ARIA | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | structures with the lowest energy |
| Conformers Calculated Total Number | 100 |
| Conformers Submitted Total Number | 30 |
| Representative Model | 1 (lowest energy) |
| Additional NMR Experimental Information | |
|---|---|
| Details | The structure was determined using triple-resonance NMR spectroscopy. |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | structure solution | ARIA | 1.1 | Nilges |
| 2 | refinement | X-PLOR | 3.851 | Brunger |
| 3 | processing | NMRPipe | 2001.157.17.50 | Delaglio |
