1EZT
HIGH-RESOLUTION SOLUTION STRUCTURE OF FREE RGS4 BY NMR
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 3D_13C-separated_NOESY | 1 mM RGS4 U-15N,13C; 50mM phosphate buffer, 2 mM NaN3, 50 mM deuterated DTT, pH 6.0 | 100% D2O | 50 mM K | 6.0 | ambient | 303 | |
| 2 | 3D_15N-separated_NOESY | 1 mM RGS4 U-15N; 50mM phosphate buffer, 2 mM NaN3, 50 mM deuterated DTT, pH 6.0 | 90% H2O/10% D2O | 50 mM K | 6.0 | ambient | 303 | |
| 3 | HNHA | 1 mM RGS4 U-15N; 50mM phosphate buffer, 2 mM NaN3, 50 mM deuterated DTT, pH 6.0 | 90% H2O/10% D2O | 50 mM K | 6.0 | ambient | 303 | |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | AMX | 600 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| distance geometry simulated annealing | The structure is based on a total of 2871 restraints, 1960 approximate interproton distance restraints, 78 distance restraints for 39 backbone hydrogen bonds, 431 torsion angle restraints, 132 3JHNa restraints, 136 Ca and 134 Cb chemical shift restraints. Structure also refined with conformational database target function. | X-PLOR |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | |
| Conformers Calculated Total Number | |
| Conformers Submitted Total Number | 1 |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | structure solution | X-PLOR | 3.840 | Brunger |
| 2 | processing | NMRPipe | 1.7 | Delaglio |
| 3 | data analysis | PIPP | 4.2.8 | Garrett |
| 4 | collection | XwinNMR | 2.0 | Bruker |
| 5 | refinement | X-PLOR | 3.840 | Brunger |
