title: Iterative ACORN as a high throughput tool in structural genomics.
abstract: High throughput macromolecular structure determination is very essential in structural genomics as the available number of sequence information far exceeds the number of available 3D structures. ACORN, a freely available resource in the CCP4 suite of programs is a comprehensive and efficient program for phasing in the determination of protein structures, when atomic resolution data are available. ACORN with the automatic model-building program ARP/wARP and refinement program REFMAC is a suitable combination for the high throughput structural genomics. ACORN can also be run with secondary structural elements like helices and sheets as inputs with high resolution data. In situations, where ACORN phasing is not sufficient for building the protein model, the fragments (incomplete model/dummy atoms) can again be used as a starting input. Iterative ACORN is proved to work efficiently in the subsequent model building stages in congerin (PDB-ID: lis3) and catalase (PDB-ID: 1gwe) for which models are available.
authors.affiliation: Department of Crystallography and Biophysics, University of Madras, Guindy Campus, Chennai 600 025, India.
authors.forename: S
authors.initials: S
authors.lastname: Selvanayagam
authors.forename: D
authors.initials: D
authors.lastname: Velmurugan
authors.forename: T
authors.initials: T
authors.lastname: Yamane
mesh_terms: D000818:Animals; D001331:Automation; D002374:Catalase / Q000737:chemistry; D019295:Computational Biology / Q000295:instrumentation / Q000379:methods*; D018360:Crystallography, X-Ray; D004524:Eels; D037161:Galectins / Q000737:chemistry; D023281:Genomics / Q000379:methods*; D016982:Micrococcus luteus / Q000378:metabolism; D008956:Models, Chemical; D008958:Models, Molecular; D011487:Protein Conformation; D011506:Proteins / Q000737:chemistry; D040901:Proteomics / Q000379:methods; D012984:Software
chemical_list: D037161:Galectins; D011506:Proteins; C074516:congerin protein, Conger myriaster; D002374:Catalase