2ROQ
Solution Structure of the thiolation-thioesterase di-domain of enterobactin synthetase component F
Spectrometer
Experimental method: SOLUTION NMR
| Spectrometer ID | Spectrometer maker | Spectrometer model | Spectrometer type | Spectrometer field strength |
| 1 | Bruker | AVANCE II | Bruker Avance II | 900 |
| 2 | Bruker | AVANCE | Bruker Avance | 750 |
| 3 | Bruker | AVANCE | Bruker Avance | 600 |
| 4 | Bruker | AVANCE | Bruker Avance | 500 |
Experiment
| experiment id | conditions id | solution id | Experiment type |
| 1 | 1 | 1 | 2D 1H-15N HSQC |
| 10 | 1 | 8 | 3D C(CO)NH |
| 11 | 1 | 8 | 3D H(CCO)NH |
| 12 | 1 | 6 | 2D 1H-15N HSQC |
| 13 | 1 | 7 | 3D HNCO-NUS |
| 14 | 1 | 9 | 3D HCCH-COSY |
| 15 | 1 | 1 | 3D 1H-15N NOESY |
| 16 | 1 | 3 | 3D C(CO)NH |
| 17 | 1 | 3 | 3D H(CCO)NH |
| 18 | 1 | 3 | 3D HCCH-TOCSY |
| 19 | 1 | 4 | 3D-TS-NOESY-HSQC |
| 2 | 1 | 8 | 3D HNCO |
| 20 | 1 | 4 | 4D-TS-HSQC-NOESY-HSQC |
| 21 | 1 | 4 | 3D-HSQC-NOESY |
| 22 | 1 | 2 | 3D-HN(CA)NH-NUS |
| 23 | 1 | 2 | 3D HN(COCA)CB |
| 3 | 1 | 8 | 3D HNCA |
| 4 | 1 | 8 | 3D HNCACB |
| 5 | 1 | 8 | 3D HN(CO)CA |
| 6 | 1 | 8 | 3D HN(CA)CO |
| 7 | 1 | 5 | 3D HNCO-NUS |
| 8 | 1 | 5 | 3D HNCA-NUS |
| 9 | 1 | 5 | 3D 13Cdet-MQ-HACACO |
NMR Sample
| conditions id | NMR sample pH | NMR sample pressure | NMR sample temperature |
| 1 | 6.72 | ambient | 298 |
Conformers
| Conformers Calculated Total Number | 200 |
| Conformers Submitted Total Number | 20 |
