9I38
Solution structure of the de novo designed monoheme protein m4D2 with bound iron(III) 2,4-dimethyldeuteroporphyrin IX
Spectrometer
Experimental method: SOLUTION NMR
| Spectrometer ID | Spectrometer maker | Spectrometer model | Spectrometer type | Spectrometer field strength |
| 1 | Bruker | AVANCE III HD | 700 | |
| 2 | Bruker | AVANCE III HD | 800 |
Experiment
| experiment id | conditions id | solution id | Experiment type |
| 1 | 1 | 2 | 2D 1H-15N HSQC |
| 10 | 3 | 2 | 3D HNCACB |
| 11 | 3 | 2 | 3D 1H-15N NOESY |
| 12 | 3 | 2 | 3D CBCA(CO)NH |
| 13 | 3 | 2 | 3D HCCH-TOCSY |
| 14 | 3 | 2 | 3D HNCACO |
| 15 | 2 | 2 | 2D 1H-15N HSQC |
| 16 | 2 | 2 | 3D 1H-15N NOESY |
| 17 | 3 | 2 | 3D CC(CO)NH |
| 18 | 3 | 2 | 3D 1H-15N TOCSY |
| 2 | 1 | 2 | 3D 1H-15N NOESY |
| 3 | 3 | 2 | 2D 1H-15N HSQC |
| 4 | 3 | 2 | 2D 1H-13C HSQC |
| 5 | 3 | 2 | 3D HN(CO)CA |
| 6 | 3 | 2 | 3D H(CCO)NH |
| 7 | 3 | 2 | 3D HNCA |
| 8 | 3 | 2 | 3D 1H-13C NOESY |
| 9 | 3 | 2 | 3D HNCO |
NMR Sample
| conditions id | NMR sample pH | NMR sample pressure | NMR sample temperature |
| 1 | 6.4 | 1 | 298 |
| 2 | 6.4 | 1 | 308 |
| 3 | 6.4 | 1 | 308 |
| 4 | 6.4 | 1 | 298 |
Conformers
| Conformers Calculated Total Number | 20 |
| Conformers Submitted Total Number | 20 |
