2LP3
Solution structure of S100A1 Ca2+
Spectrometer
Experimental method: SOLUTION NMR
| Spectrometer ID | Spectrometer maker | Spectrometer model | Spectrometer type | Spectrometer field strength |
| 1 | Varian | INOVA | Varian INOVA | 400 |
| 2 | Varian | UNITYPLUS | Varian UnityPlus | 500 |
| 3 | Varian | Varian NMR System | Varian Varian NMR System | 700 |
| 4 | Varian | Varian NMR System | Varian Varian NMR System | 800 |
Experiment
| experiment id | conditions id | solution id | Experiment type |
| 1 | 1 | 1 | 2D 1H-15N HSQC |
| 10 | 1 | 1 | 3D HN(CO)CA |
| 11 | 2 | 2 | 3D 1H-13C NOESY aliphatic |
| 12 | 2 | 2 | 3D HCCH-TOCSY |
| 13 | 2 | 2 | 3D 1H-13C NOESY aromatic |
| 14 | 1 | 1 | 3D 1H-15N NOESY |
| 15 | 1 | 3 | 2D 1H-15N heteronuclear NOE |
| 16 | 1 | 3 | 2D 1H-15N heteronuclear NOE |
| 17 | 1 | 3 | 2D 1H-15N heteronuclear NOE |
| 18 | 1 | 3 | 2D 1H-15N T1 relaxation |
| 19 | 1 | 3 | 2D 1H-15N T1 relaxation |
| 2 | 1 | 1 | 2D 1H-15N HSQC NH2 only |
| 20 | 1 | 3 | 2D 1H-15N T1 relaxation |
| 21 | 1 | 3 | 2D 1H-15N T2 relaxation |
| 22 | 1 | 3 | 2D 1H-15N T2 relaxation |
| 23 | 1 | 3 | 2D 1H-15N T2 relaxation |
| 3 | 2 | 2 | 2D 1H-13C HSQC aliphatic |
| 4 | 2 | 2 | 2D 1H-13C HSQC aromatic |
| 5 | 1 | 1 | 3D CBCA(CO)NH |
| 6 | 1 | 1 | 3D HNCO |
| 7 | 1 | 1 | 3D HNCA |
| 8 | 1 | 1 | 3D HNCACB |
| 9 | 1 | 1 | 3D HBHA(CO)NH |
NMR Sample
| conditions id | NMR sample pH | NMR sample pressure | NMR sample temperature |
| 1 | 7.2 | ambient | 310 |
| 2 | 6.8 | ambient | 310 |
Conformers
| Conformers Calculated Total Number | 210 |
| Conformers Submitted Total Number | 20 |
