Solution structure of the FKBP-domain of Legionella pneumophila Mip in complex with rapamycin
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | HETERONUCLEAR | 90 % H2O AND 10 % D2O | 20 mM | 6.5 | 1.0 atm | 298.0 | ||
| 2 | FILTERED SPECTRA | 90 % H2O AND 10 % D2O | 20 mM | 6.5 | 1.0 atm | 298.0 | ||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | AVANCE | 700 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| ARIA, SIMULATED ANNEALING | Xplor-NIH | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | LOWEST ENERGY |
| Conformers Calculated Total Number | 80 |
| Conformers Submitted Total Number | 16 |
| Representative Model | 1 (n/a) |
| Additional NMR Experimental Information | |
|---|---|
| Details | THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR SPECTROSCOPY ON 13C, 15N-LABELED MIP. |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | Xplor-NIH | BRUNGER | |
| 2 | structure solution | CNS | ||
| 3 | structure solution | Xplor-NIH | ||
