7B2B
Solution structure of a non-covalent extended docking domain complex of the Pax NRPS: PaxA T1-CDD/PaxB NDD
Spectrometer
Experimental method: SOLUTION NMR
| Spectrometer ID | Spectrometer maker | Spectrometer model | Spectrometer type | Spectrometer field strength |
| 1 | Bruker | AVANCE III HD | 800 | |
| 2 | Bruker | AVANCE III | 600 | |
| 3 | Bruker | AVANCE II | 600 | |
| 4 | Bruker | AVANCE NEO | 900 | |
| 5 | Bruker | AVANCE III | 950 |
Experiment
| experiment id | conditions id | solution id | Experiment type |
| 1 | 1 | 3 | 2D 1H-15N HSQC |
| 10 | 1 | 3 | 3D 1H-13C NOESY aromatic |
| 11 | 1 | 3 | 3D 1H-13C NOESY aliphatic |
| 12 | 1 | 3 | 3D HNCA |
| 13 | 1 | 3 | 3D HNCO |
| 14 | 1 | 4 | 2D 1H-15N HSQC |
| 15 | 1 | 3 | 2D 1H-13C HSQC aromatic |
| 16 | 1 | 3 | 2D 1H-13C HSQC aliphatic |
| 17 | 1 | 3 | 3D HCCH-COSY |
| 18 | 1 | 3 | 3D CBCA(CO)NH |
| 19 | 1 | 3 | 3D HBHA(CO)NH |
| 2 | 1 | 5 | 3D 1H-13C NOESY aliphatic |
| 21 | 1 | 3 | 3D HCCH-TOCSY |
| 22 | 1 | 3 | 3D HCCH-TOCSY |
| 23 | 1 | 4 | 2D 1H-13C HSQC aromatic |
| 24 | 1 | 4 | 2D 1H-13C HSQC aliphatic |
| 25 | 1 | 4 | 3D HCCH-TOCSY |
| 26 | 1 | 4 | 3D HCCH-COSY |
| 27 | 1 | 4 | 3D HBHA(CO)NH |
| 28 | 1 | 4 | 3D CBCA(CO)NH |
| 29 | 1 | 4 | 3D HNCACB |
| 3 | 1 | 6 | 3D 1H-13C NOESY aliphatic |
| 30 | 1 | 4 | 3D HNCO |
| 31 | 1 | 4 | 3D 1H-13C NOESY aliphatic |
| 33 | 1 | 4 | 3D 1H-13C NOESY aromatic |
| 4 | 1 | 1 | 3D 1H-15N NOESY |
| 5 | 1 | 7 | 2D 1H-13C HSQC aliphatic |
| 6 | 1 | 8 | 2D 1H-13C HSQC aliphatic |
| 7 | 1 | 2 | 3D 1H-15N NOESY |
| 8 | 1 | 5 | 3D 1H-13C-filtered NOESY aliphatic |
| 9 | 1 | 6 | 3D 1H-13C-filtered NOESY aliphatic |
NMR Sample
| conditions id | NMR sample pH | NMR sample pressure | NMR sample temperature |
| 1 | 6.5 | AMBIENT | 293 |
Conformers
| Conformers Calculated Total Number | 20 |
| Conformers Submitted Total Number | 20 |
