title: Crystallographic ab initio protein structure solution below atomic resolution.
abstract: Ab initio macromolecular phasing has been so far limited to small proteins diffracting at atomic resolution (beyond 1.2 A) unless heavy atoms are present. We describe a general ab initio phasing method for 2 A data, based on combination of localizing model fragments such as small á-helices with Phaser and density modification with SHELXE. We implemented this approach in the program Arcimboldo to solve a 222-amino-acid structure at 1.95 A.
authors.affiliation: Instituto de Biología Molecular de Barcelona, Barcelona Science Park, Barcelona, Spain.
authors.forename: Dayté D
authors.initials: DD
authors.lastname: Rodríguez
authors.forename: Christian
authors.initials: C
authors.lastname: Grosse
authors.forename: Sebastian
authors.initials: S
authors.lastname: Himmel
authors.forename: César
authors.initials: C
authors.lastname: González
authors.forename: Iñaki M
authors.initials: IM
authors.lastname: de Ilarduya
authors.forename: Stefan
authors.initials: S
authors.lastname: Becker
authors.forename: George M
authors.initials: GM
authors.lastname: Sheldrick
authors.forename: Isabel
authors.initials: I
authors.lastname: Usón
mesh_terms: D003461:Crystallography / Q000379:methods; D008958:Models, Molecular; D011487:Protein Conformation; D011506:Proteins / Q000737:chemistry*
chemical_list: D011506:Proteins
references.citation: EMBO J. 1998 Dec 15;17(24):7404-15
references.pmid: 9857196
references.citation: Acta Crystallogr D Biol Crystallogr. 2005 Nov;61(Pt 11):1465-75
references.pmid: 16239723
references.citation: J Mol Biol. 1992 Nov 20;228(2):596-618
references.pmid: 1453466
references.citation: Acta Crystallogr D Biol Crystallogr. 2004 Dec;60(Pt 12 Pt 1):2126-32
references.pmid: 15572765
references.citation: J Biol Chem. 2003 Dec 19;278(51):51108-15
references.pmid: 14527945
references.citation: J Appl Crystallogr. 2007 Aug 1;40(Pt 4):658-674
references.pmid: 19461840
references.citation: Acta Crystallogr D Biol Crystallogr. 1997 May 1;53(Pt 3):240-55
references.pmid: 15299926
references.citation: Acta Crystallogr D Biol Crystallogr. 2005 May;61(Pt 5):556-65
references.pmid: 15858265
references.citation: J Mol Biol. 2006 Jul 7;360(2):457-65
references.pmid: 16781736
references.citation: Acta Crystallogr D Biol Crystallogr. 2007 Oct;63(Pt 10):1069-74
references.pmid: 17881824
references.citation: Acta Crystallogr D Biol Crystallogr. 2003 Jan;59(Pt 1):38-44
references.pmid: 12499537
references.citation: Science. 1993 Mar 5;259(5100):1430-3
references.pmid: 8451639