1WJM
Solution structure of pleckstrin homology domain of human beta III spectrin.
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 3D_13C-separated_NOESY | 1.05mM PH domain U-15N,13C; 20mM phosphate buffer NA; 100mM NaCl; 1mM d-DTT; 0.02% NaN3; 10% D2O | 90% H2O/10% D2O | 120mM | 6.0 | ambient | 298 | |
| 2 | 3D_15N-separated_NOESY | 1.05mM PH domain U-15N,13C; 20mM phosphate buffer NA; 100mM NaCl; 1mM d-DTT; 0.02% NaN3; 10% D2O | 90% H2O/10% D2O | 120mM | 6.0 | ambient | 298 | |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | AVANCE | 800 |
| 2 | JEOL | ECA | 800 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| torsion angle dynamics | XwinNMR | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | structures with the least restraint violations, target function |
| Conformers Calculated Total Number | 100 |
| Conformers Submitted Total Number | 20 |
| Representative Model | 1 (lowest energy) |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | collection | XwinNMR | 2.6 | Bruker |
| 2 | collection | Delta | 2.3 | JEOL |
| 3 | processing | NMRPipe | 20020425 | Delaglio, F. |
| 4 | data analysis | NMRView | 5.0.4 | Johnson, B.A. |
| 5 | data analysis | KUJIRA | 0.8996 | Kobayashi, N. |
| 6 | structure solution | CYANA | 1.0.7 | Guentert, P. |
| 7 | refinement | CYANA | 1.0.7 | Guentert, P. |
