title: The use of VLD (vive la difference) in the molecular-replacement approach: a pipeline.
abstract: VLD (vive la difference) is a novel ab initio phasing approach that is able to drive random phases to the correct values. It has been applied to small, medium and protein structures provided that the data resolution was atomic. It has never been used for non-ab initio cases in which some phase information is available but the data resolution is usually very far from 1 Å. In this paper, the potential of VLD is tested for the first time for a classical non-ab initio problem: molecular replacement. Good preliminary experimental results encouraged the construction of a pipeline for leading partial molecular-replacement models with errors to refined solutions in a fully automated way. The pipeline moduli and their interaction are described, together with applications to a wide set of test cases.
authors.affiliation: Istituto di Cristallografia, CNR, Via G. Amendola 122/O, 70126 Bari, Italy.
authors.forename: Benedetta
authors.initials: B
authors.lastname: Carrozzini
authors.forename: Giovanni Luca
authors.initials: GL
authors.lastname: Cascarano
authors.forename: Giuliana
authors.initials: G
authors.lastname: Comunale
authors.forename: Carmelo
authors.initials: C
authors.lastname: Giacovazzo
authors.forename: Annamaria
authors.initials: A
authors.lastname: Mazzone
mesh_terms: D000465:Algorithms; D018360:Crystallography, X-Ray / Q000379:methods*; D008958:Models, Molecular; D011506:Proteins / Q000737:chemistry*
chemical_list: D011506:Proteins
keywords: VLD; automated structure solution; molecular replacement; phasing