title: Structure determination of racemic trichogin A IV using centrosymmetric crystals.
abstract: Direct methods of crystal structure solution are greatly facilitated in centrosymmetric space groups where the complexity of the phase-problem is reduced. For most peptides and proteins, crystallization in a centrosymmetric arrangement is precluded by an intrinsic dissymmetry due to the constituent chiral amino acid residues. The synthetic accessibility of peptide sequences containing amino acids of either chirality offers the possibility for co-crystallization of racemic crystals. We report here the first use of such an approach for the de novo structure determination of a medium-sized molecule, trichogin A IV, which is a constituent of a fungal lipopeptaibol mixture possessing membrane-modifying properties of biological interest.
authors.affiliation: C.N.R., Department of Organic Chemistry, University of Padova, Italy.
authors.forename: C
authors.initials: C
authors.lastname: Toniolo
authors.forename: C
authors.initials: C
authors.lastname: Peggion
authors.forename: M
authors.initials: M
authors.lastname: Crisma
authors.forename: F
authors.initials: F
authors.lastname: Formaggio
authors.forename: X
authors.initials: X
authors.lastname: Shui
authors.forename: D S
authors.initials: DS
authors.lastname: Eggleston
mesh_terms: D000595:Amino Acid Sequence; D000900:Anti-Bacterial Agents / Q000737:chemistry* / Q000378:metabolism / Q000494:pharmacology; D003460:Crystallization; D018360:Crystallography, X-Ray; D055666:Lipopeptides; D009682:Magnetic Resonance Spectroscopy; D008958:Models, Molecular; D008969:Molecular Sequence Data; D015394:Molecular Structure; D010455:Peptides; D011487:Protein Conformation; D013237:Stereoisomerism
chemical_list: D000900:Anti-Bacterial Agents; D055666:Lipopeptides; D010455:Peptides; C087937:trichogin A IV