Crystallographic ab initio protein structure solution below atomic resolution.
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.
Rodríguez
Dayté D
DD
Instituto de Biología Molecular de Barcelona, Barcelona Science Park, Barcelona, Spain.
Grosse
Christian
C
Himmel
Sebastian
S
González
César
C
de Ilarduya
Iñaki M
IM
Becker
Stefan
S
Sheldrick
George M
GM
Usón
Isabel
I
D003461:Crystallography / Q000379:methods; D008958:Models, Molecular; D011487:Protein Conformation; D011506:Proteins / Q000737:chemistry*
D011506:Proteins
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