SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | VARIOUS | 90% WATER/10% D2O | 6.5 | 298.0 | ||||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | AM | 700 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| ARIA | ARIA/CNS | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | ENERGY |
| Conformers Calculated Total Number | 40 |
| Conformers Submitted Total Number | 10 |
| Representative Model | 1 (n/a) |
| Additional NMR Experimental Information | |
|---|---|
| Details | THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR SPECTROSCOPY ON 13C, 15N-LABELED MIP AND UNLABELLED RAPAMYCIN. THE STRUCTURES ARE SORTED BY ENERGY |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | ARIA/CNS | BRUNGER,ADAMS,CLORE,DELANO,GROS, GROSSE- KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU,READ, RICE,SIMONSON,WARREN | |
| 2 | structure solution | NMRPipe | ||
| 3 | structure solution | NMRView | ||
| 4 | structure solution | ARIA | ||
| 5 | structure solution | CNS | ||
| 6 | structure solution | PyMOL | ||
| 7 | structure solution | MANY OTHERS | OTHERS | |
