Crystallographic ab initio protein structure solution below atomic resolution

2009 | journal article. A publication with affiliation to the University of Göttingen.

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​Crystallographic ab initio protein structure solution below atomic resolution​
Rodriguez, D. D.; Grosse, C. ; Himmel, S.; Gonzalez, C.; de Ilarduya, I. M.; Becker, S. & Sheldrick, G. M.  et al.​ (2009) 
Nature Methods, 6(9) pp. 651​-U39​.​ DOI: https://doi.org/10.1038/NMETH.1365 

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Authors
Rodriguez, Dayte D.; Grosse, Christian ; Himmel, Sebastian; Gonzalez, Cesar; de Ilarduya, Inaki M.; Becker, Stefan; Sheldrick, George M. ; Usón, Isabel
Abstract
Ab initio macromolecular phasing has been so far limited to small proteins diffracting at atomic resolution (beyond 1.2 angstrom) unless heavy atoms are present. We describe a general ab initio phasing method for 2 angstrom data, based on combination of localizing model fragments such as small alpha-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 angstrom.
Issue Date
2009
Status
published
Publisher
Nature Publishing Group
Journal
Nature Methods 
ISSN
1548-7091

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