ProteinS100-A1 / / S-100 protein alpha chain / S-100 protein subunit alpha / S100 calcium-binding protein A1
Mass: 10424.603 Da / Num. of mol.: 2 / Mutation: E32Q Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: S100A1, S100A / Plasmid: pET30a+ / Production host: Escherichia coli (E. coli) / References: UniProt: P23297
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Experimental details
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Experiment
Experiment
Method: SOLUTION NMR Details: Structure derived from constraints obtained from 4D NOESY dataset. Experiments were performed with diagonal suppression and non uniform sampling.
NMR experiment
Conditions-ID
Experiment-ID
Solution-ID
Type
1
1
1
4D 13C-HMQC-NOESY-15N-HSQC
1
2
1
4D 13C-HMQC-NOESY-13C-HSQC with diagonal suppression
1
3
1
4D 13C(ali)-HMQC-NOESY-13C(aro)-HSQC
1
4
1
2D 1H-15N HSQC
1
5
1
2D 1H-13C HSQC aliphatic
1
6
1
2D 1H-13C HSQC aromatic
1
7
1
3DCBCA(CO)NH
1
8
1
3DC(CO)NH
1
9
1
3D HNCO
1
10
1
3D HNCA
1
11
1
3D HN(CA)CB
1
12
1
3DHBHA(CO)NH
1
13
1
4D (H)CCHTOCSY
NMR details
Text: All 4D experiments were performed with non uniform sampling
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Sample preparation
Details
Contents: 1 mM [U-99% 13C; U-99% 15N] S100A1 E32Q, 10 % D2O, 90 % H2O, 50 mM [U-100% 2H] TSP, 1 mM EDTA, 0.1 mM sodium azide, 50 mM sodium chloride, 90% H2O/10% D2O Solvent system: 90% H2O/10% D2O
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