6WQE
Solution Structure of the IWP-051-bound H-NOX from Shewanella woodyi in the Fe(II)CO ligation state
Spectrometer
Experimental method: SOLUTION NMR
| Spectrometer ID | Spectrometer maker | Spectrometer model | Spectrometer type | Spectrometer field strength |
| 1 | Agilent | agilent 800 | 800 | |
| 2 | Bruker | AVANCE NEO | 600 | |
| 3 | Bruker | AVANCE NEO | 800 | |
| 4 | Agilent | agilent 600 | 600 |
Experiment
| experiment id | conditions id | solution id | Experiment type |
| 1 | 1 | 1 | 2D 1H-15N HSQC |
| 10 | 3 | 4 | 2D 1H-1H NOESY |
| 2 | 1 | 1 | 2D 1H-15N TROSY |
| 3 | 2 | 1 | 2D 1H-15N TROSY |
| 4 | 1 | 2 | 2D 13C15Nfiltered NOESY |
| 5 | 1 | 3 | 2D 1H-13C HSQC |
| 6 | 1 | 1 | 3D 1H-15N NOESY |
| 7 | 1 | 2 | 3D 1H-13C NOESY aliphatic |
| 8 | 1 | 3 | 3D 1H-13C NOESY aliphatic |
| 9 | 1 | 2 | 2D 1H-13C HSQC aliphatic |
NMR Sample
| conditions id | NMR sample pH | NMR sample pressure | NMR sample temperature |
| 1 | 7.4 | 1 | 293 |
| 2 | 7.4 | 1 | 293 |
| 3 | 7.4 | 1 | 298 |
Conformers
| Conformers Calculated Total Number | 200 |
| Conformers Submitted Total Number | 20 |
