2LLS
solution structure of human apo-S100A1 C85M
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 HBHA(CO)NH |
11 | 2 | 2 | 3D HCCH-TOCSY |
12 | 1 | 1 | 3D 1H-15N NOESY |
13 | 2 | 2 | 3D 1H-13C NOESY aliphatic |
14 | 2 | 2 | 3D 1H-13C NOESY aromatic |
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 HN(CO)CA |
NMR Sample
conditions id | NMR sample pH | NMR sample pressure | NMR sample temperature |
1 | 6.8 | ambient | 310 |
2 | 7.2 | ambient | 310 |
Conformers
Conformers Calculated Total Number | 200 |
Conformers Submitted Total Number | 20 |