2LL4
HADDOCK structure of TgMIC4-A5/lacto-N-biose complex, based on NOE-derived distance restraints
Spectrometer
Experimental method: SOLUTION NMR
| Spectrometer ID | Spectrometer maker | Spectrometer model | Spectrometer type | Spectrometer field strength |
| 1 | Bruker | AVANCE | Bruker Avance | 600 |
| 2 | Bruker | AVANCE | Bruker Avance | 800 |
Experiment
| experiment id | conditions id | solution id | Experiment type |
| 1 | 1 | 1 | 2D 1H-13C HSQC aromatic |
| 2 | 2 | 2 | 2D 1H-1H TOCSY |
| 3 | 2 | 2 | 2D DQF-COSY |
| 4 | 2 | 2 | 2D 1H-1H NOESY |
| 5 | 2 | 2 | 2D 1H-13C HSQC |
| 6 | 1 | 1 | 3D 1H-13C NOESY |
NMR Sample
| conditions id | NMR sample pH | NMR sample pressure | NMR sample temperature |
| 1 | 6.5 | ambient | 303 |
Conformers
| Conformers Calculated Total Number | 200 |
| Conformers Submitted Total Number | 10 |
