2M30
Solution NMR refinement of a metal ion bound protein using quantum mechanical/molecular mechanical and molecular dynamics methods
Spectrometer
Experimental method: SOLUTION NMR
| Spectrometer ID | Spectrometer maker | Spectrometer model | Spectrometer type | Spectrometer field strength |
| 1 | Varian | INOVA | Varian INOVA | 600 |
| 2 | Varian | INOVA | Varian INOVA | 800 |
| 3 | Varian | INOVA | Varian INOVA | 900 |
Experiment
| experiment id | conditions id | solution id | Experiment type |
| 1 | 1 | 1 | 2D 1H-15N TROSY |
| 2 | 1 | 1 | 2D 1H-13C HMQC |
| 3 | 1 | 1 | 3D CBCA(CO)NH |
| 4 | 1 | 1 | 3D HNCACB |
| 5 | 1 | 1 | 3D C(CO)NH |
| 6 | 1 | 1 | 3D H(CCO)NH |
| 7 | 1 | 1 | 3D HNCO |
| 8 | 1 | 1 | 2D 1H-15N IPAP-HSQC |
| 9 | 1 | 1 | 3D 1H-15N NOESY-TROSY |
NMR Sample
| conditions id | NMR sample pH | NMR sample pressure | NMR sample temperature |
| 1 | 6 | 1 | 313 |
Conformers
| Conformers Calculated Total Number | 132000 |
| Conformers Submitted Total Number | 10 |
