2LIQ
Solution structure of CCL2 in complex with glycan
Spectrometer
Experimental method: SOLUTION NMR
| Spectrometer ID | Spectrometer maker | Spectrometer model | Spectrometer type | Spectrometer field strength |
| 1 | Bruker | AVANCE | Bruker Avance | 500 |
| 2 | Bruker | AVANCE | Bruker Avance | 600 |
| 3 | Bruker | AVANCE | Bruker Avance | 750 |
| 4 | Bruker | AVANCE | Bruker Avance | 900 |
Experiment
| experiment id | conditions id | solution id | Experiment type |
| 1 | 1 | 1 | 2D 1H-15N HSQC |
| 10 | 1 | 3 | 2D 13C-HSQC for aliphatic region |
| 11 | 1 | 3 | 2D 13C-HSQC for aromatic region |
| 12 | 1 | 3 | 3D 13Cedited-NOESY for aliphatic region |
| 13 | 1 | 3 | 2D 13Cedited NOESY for aromatic region |
| 14 | 1 | 3 | 3D HNCA |
| 15 | 1 | 3 | 3D HNCACB |
| 16 | 1 | 3 | 3D HNCO |
| 17 | 1 | 4 | 2D 13C-HSQC for aliphatic region |
| 18 | 1 | 4 | 2D 13C-HSQC for aromatic region |
| 19 | 1 | 4 | 3D HCCH-COSY |
| 2 | 1 | 1 | 2D 15N-HSQC |
| 20 | 1 | 4 | 2D 13C F1-filtered TOCSY |
| 21 | 1 | 4 | 2D 13C F1-filtered NOESY |
| 22 | 1 | 4 | 2D 13C F1-filtered, F2-filtered NOESY |
| 23 | 1 | 4 | 3D 13C F1-edited, F3-filtered NOESY for aliphatic region |
| 24 | 1 | 4 | 3D 13C F1-edited, F3-filtered NOESY for aromatic region |
| 25 | 1 | 5 | 2D constant-time 13C-HSQC to unambiguously assign the stereochemical methyl groups of VAL and LEU |
| 3 | 1 | 1 | 2D NOESY |
| 4 | 1 | 1 | 3D 15N edited NOESY |
| 5 | 1 | 1 | 2D 15N F1-filtered,F2-filtered NOESY |
| 6 | 1 | 2 | 2D NOESY |
| 7 | 1 | 2 | 2D TOCSY |
| 8 | 1 | 2 | 2D 13C-HSQC (at natural abundance) |
| 9 | 1 | 2 | 2D 15N-HSQC (for H/D exchange) |
NMR Sample
| conditions id | NMR sample pH | NMR sample pressure | NMR sample temperature |
| 1 | 4.7 | ambient | 310 |
Conformers
| Conformers Calculated Total Number | 300 |
| Conformers Submitted Total Number | 20 |
