2CNR
Structural studies on the interaction of ScFAS ACP with ACPS
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | NOESY | 95% WATER/5% D2O | 0 | 5.0 | 1.0 atm | 298.0 | ||
| 2 | HNHA | 95% WATER/5% D2O | 0 | 5.0 | 1.0 atm | 298.0 | ||
| 3 | CBCACONH | 95% WATER/5% D2O | 0 | 5.0 | 1.0 atm | 298.0 | ||
| 4 | HNCA | 95% WATER/5% D2O | 0 | 5.0 | 1.0 atm | 298.0 | ||
| 5 | HNCACB | 95% WATER/5% D2O | 0 | 5.0 | 1.0 atm | 298.0 | ||
| 6 | HNCO | 95% WATER/5% D2O | 0 | 5.0 | 1.0 atm | 298.0 | ||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Varian | INOVA | 600 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| ARIA | ARIA1.2 | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | LOWEST ENERGY, LEAST VIOLATION |
| Conformers Calculated Total Number | 200 |
| Conformers Submitted Total Number | 20 |
| Representative Model | 17 (n/a) |
| Additional NMR Experimental Information | |
|---|---|
| Details | THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR SPECTROSCOPY ON UNLABELLED, 15N-LABELLED AND 13C, 15N- LABELLED SCFAS ACP. |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | ARIA1.2 | BRUNGER,ADAMS,CLORE,DELANO,GROS, GROSSE- KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU,READ, RICE,SIMONSON,WARREN | |
| 2 | structure solution | NMRPIPE | ||
| 3 | structure solution | SPARKY | ||
