6BQS
HusA haemophore from Porphyromonas gingivalis
Spectrometer
Experimental method: SOLUTION NMR
| Spectrometer ID | Spectrometer maker | Spectrometer model | Spectrometer type | Spectrometer field strength |
| 2 | Bruker | AVANCE II | 800 | |
| 3 | Bruker | AVANCE II | 600 |
Experiment
| experiment id | conditions id | solution id | Experiment type |
| 1 | 1 | 2 | 2D NOESY |
| 10 | 2 | 1 | 3D HNCACB |
| 11 | 2 | 1 | 3D CBCA(CO)NH |
| 12 | 2 | 1 | 3D HNCO |
| 13 | 2 | 1 | 3D HBHA(CO)NH |
| 14 | 2 | 1 | 3D H(CCO)NH |
| 15 | 2 | 1 | 3D C(CO)NH |
| 16 | 2 | 1 | 3D HBCBCGCDHD |
| 17 | 2 | 1 | 3D HBCBCGCDHDCEHE |
| 18 | 1 | 2 | 2D 1H-1H TOCSY |
| 19 | 1 | 2 | 2D 1H-1H COSY |
| 20 | 2 | 1 | 3D 1H-15N NOESY |
| 21 | 1 | 3 | 3D HCCH-TOCSY |
| 22 | 1 | 3 | 3D CCH-TOCSY |
| 3 | 1 | 1 | 3D 1H-13C NOESY aliphatic |
| 4 | 1 | 3 | 3D 1H-13C NOESY aliphatic |
| 5 | 1 | 1 | 3D 1H-15N NOESY |
| 6 | 1 | 1 | 3D 1H-13C NOESY aromatic |
| 7 | 1 | 3 | 3D 1H-13C NOESY aromatic |
| 8 | 1 | 4 | 2D NOESY |
| 9 | 2 | 1 | 3D HNCA |
NMR Sample
| conditions id | NMR sample pH | NMR sample pressure | NMR sample temperature |
| 1 | 6.9 | 1 | 308 |
| 2 | 6.9 | 1 | 298 |
Conformers
| Conformers Calculated Total Number | 100 |
| Conformers Submitted Total Number | 21 |
