Mass: 11502.014 Da / Num. of mol.: 1 / Fragment: first SAM domain Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) Description: This vector is from the NIH structural genomics consortium. It contains a His6 tag, Maltose Binding Protein tag and a TEV protease cleavage site Gene: ANKS1B / Plasmid: pDEST586 / Production host: Escherichia coli (E. coli) / Strain (production host): K12 / References: UniProt: Q7Z6G8
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Experimental details
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Experiment
Experiment
Method: SOLUTION NMR
NMR experiment
Conditions-ID
Experiment-ID
Solution-ID
Type
1
1
1
2D 1H-15N HSQC
1
2
1
2D 1H-13C HSQC
1
3
1
3DCBCA(CO)NH
1
4
1
3DC(CO)NH
1
5
1
3D HNCO
1
6
1
3D HN(CA)CB
1
7
1
3DH(CCO)NH
1
8
1
3D 1H-15N NOESY
1
9
1
3D 1H-13C NOESY
NMR details
Text: This structure was determined using NOE restraints and dihedral angle restraints predicted from chemical shifts
Method: torsion angle dynamics, simulated annealing / Software ordinal: 1 Details: 5000 steps using CYANA standard torsion angle dynamics, water-refinement using XPLOR-NIH and cartesian dynamics. Specifics: 2000 hot steps at 500 K, 500 cool steps to 100 K final in 100 K increments
NMR constraints
NOE constraints total: 661 / NOE intraresidue total count: 351 / NOE long range total count: 86 / NOE medium range total count: 66 / NOE sequential total count: 158
NMR representative
Selection criteria: lowest energy
NMR ensemble
Conformer selection criteria: structures with the lowest energy Conformers calculated total number: 25 / Conformers submitted total number: 10 / Maximum lower distance constraint violation: 0.5 Å / Maximum upper distance constraint violation: 0.5 Å
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