5W72
Impact of IR active probes on PDZ3 and its ligand binding studied by NMR and X-ray crystallography
Spectrometer
Experimental method: SOLUTION NMR
| Spectrometer ID | Spectrometer maker | Spectrometer model | Spectrometer type | Spectrometer field strength |
| 1 | Bruker | AVANCE III HD | 700 | |
| 2 | Bruker | DRX | 800 | |
| 3 | Bruker | AVANCE III HD | 800 | |
| 4 | Bruker | AVANCE III HD | 600 |
Experiment
| experiment id | conditions id | solution id | Experiment type |
| 1 | 1 | 1 | 2D 1H-15N HSQC |
| 10 | 1 | 1 | 3D HNHA |
| 11 | 1 | 1 | 3D HNCO |
| 2 | 1 | 1 | 2D 1H-1H NOESY |
| 3 | 1 | 1 | 3D 1H-15N NOESY |
| 4 | 1 | 1 | 3D 1H-13C NOESY |
| 5 | 1 | 1 | 2D 13C-15N df-NOESY |
| 6 | 1 | 1 | 3D 15N edited 13C-15N df-NOESY |
| 7 | 1 | 1 | 3D 13C edited 13C-15N df-NOESY |
| 8 | 1 | 1 | 3D HNCACB |
| 9 | 1 | 1 | 3D HCCCONH |
NMR Sample
| conditions id | NMR sample pH | NMR sample pressure | NMR sample temperature |
| 1 | 6.8 | 1 | 298 |
Conformers
| Conformers Calculated Total Number | 400 |
| Conformers Submitted Total Number | 20 |
