title: Exploiting tertiary structure through local folds for crystallographic phasing.
abstract: We describe an algorithm for phasing protein crystal X-ray diffraction data that identifies, retrieves, refines and exploits general tertiary structural information from small fragments available in the Protein Data Bank. The algorithm successfully phased, through unspecific molecular replacement combined with density modification, all-helical, mixed alpha-beta, and all-beta protein structures. The method is available as a software implementation: Borges.
authors.affiliation: Instituto de Biología Molecular de Barcelona, Consejo Superior de Investigaciones Científicas, Barcelona, Spain.
authors.forename: Massimo
authors.initials: M
authors.lastname: Sammito
authors.forename: Claudia
authors.initials: C
authors.lastname: Millán
authors.forename: Dayté D
authors.initials: DD
authors.lastname: Rodríguez
authors.forename: Iñaki M
authors.initials: IM
authors.lastname: de Ilarduya
authors.forename: Kathrin
authors.initials: K
authors.lastname: Meindl
authors.forename: Ivan
authors.initials: I
authors.lastname: De Marino
authors.forename: Giovanna
authors.initials: G
authors.lastname: Petrillo
authors.forename: Rubén M
authors.initials: RM
authors.lastname: Buey
authors.forename: José M
authors.initials: JM
authors.lastname: de Pereda
authors.forename: Kornelius
authors.initials: K
authors.lastname: Zeth
authors.forename: George M
authors.initials: GM
authors.lastname: Sheldrick
authors.forename: Isabel
authors.initials: I
authors.lastname: Usón
mesh_terms: D000465:Algorithms; D003461:Crystallography / Q000379:methods*; D030562:Databases, Protein; D008958:Models, Molecular; D017510:Protein Folding; D017434:Protein Structure, Tertiary
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