X-ray crystal structure of the complex of enniatin B with KNCS
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The crystal structure of the complex of enniatin B, cyclo[-(L-MeVal-D-Hyi)3-](C33H57N3O9), with KNCS is determined by X-ray diffraction [CuKαradiation, R = 0.0594 for 7925 reflections with I > 2 σ(I)]. The crystals belong to the space group P3, a = 24.448(5) Å, c = 23.578(5) Å, V = 12277(9) Å3, and Z = 6. The unit cell contains 12 symmetrically independent molecules of the antibiotic, which are located on crystallographic threefold axes. The K+ ions are located on the threefold axes and are coordinated by the carbonyl oxygen atoms of the hydroxy acid or amino acid residues of the enniatin molecules to form prisms, twisted prisms, and antiprisms. All the independent enniatin molecules retain the principal conformational features revealed earlier in the structures of enniatin B and its complexes.
KeywordsOxygen Reflection Crystal Structure Carbonyl Oxygen Atom
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