2C34
Leishmania mexicana ICP
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 13C-NOESY-HSQC | 90% WATER/10% D2O | 75 | 4.5 | 1.0 atm | 294.8 | ||
| 2 | 15N-NOESY- HSQC | 90% WATER/10% D2O | 75 | 4.5 | 1.0 atm | 294.8 | ||
| 3 | HNCACB | 90% WATER/10% D2O | 75 | 4.5 | 1.0 atm | 294.8 | ||
| 4 | CBCACONH | 90% WATER/10% D2O | 75 | 4.5 | 1.0 atm | 294.8 | ||
| 5 | HCCCONH | 90% WATER/10% D2O | 75 | 4.5 | 1.0 atm | 294.8 | ||
| 6 | HCCH-TOCSY | 90% WATER/10% D2O | 75 | 4.5 | 1.0 atm | 294.8 | ||
| 7 | CBCGCDHD | 90% WATER/10% D2O | 75 | 4.5 | 1.0 atm | 294.8 | ||
| 8 | HNCACO | 90% WATER/10% D2O | 75 | 4.5 | 1.0 atm | 294.8 | ||
| 9 | HNCO | 90% WATER/10% D2O | 75 | 4.5 | 1.0 atm | 294.8 | ||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | AVANCE | 600 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| ARIA-ALIKE | REFINEMENT DETAILS CAN BE FOUND IN THE JRNL CITATION ABOVE. | CNS |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | LOWEST RESTRAINT ENERGY |
| Conformers Calculated Total Number | 50 |
| Conformers Submitted Total Number | 38 |
| Representative Model | 1 (n/a) |
| Additional NMR Experimental Information | |
|---|---|
| Details | THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR SPECTROSCOPY ON 13C, 15N-LABELLED ICP |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | CNS | 1.1 | BRUNGER,ADAMS,CLORE,DELANO,GROS, GROSSE- KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU,READ, RICE,SIMONSON,WARREN |
| 2 | structure solution | CcpNmr Analysis | ANALYSIS | |
