On the combination of molecular replacement and single-wavelength anomalous diffraction phasing for automated structure determination.
Acta Crystallogr D Biol Crystallogr
; 65(Pt 10): 1089-97, 2009 Oct.
Article
en En
| MEDLINE
| ID: mdl-19770506
ABSTRACT
A combination of molecular replacement and single-wavelength anomalous diffraction phasing has been incorporated into the automated structure-determination platform Auto-Rickshaw. The complete MRSAD procedure includes molecular replacement, model refinement, experimental phasing, phase improvement and automated model building. The improvement over the standard SAD or MR approaches is illustrated by ten test cases taken from the JCSG diffraction data-set database. Poor MR or SAD phases with phase errors larger than 70 degrees can be improved using the described procedure and a large fraction of the model can be determined in a purely automatic manner from X-ray data extending to better than 2.6 A resolution.
Texto completo:
1
Colección:
01-internacional
Banco de datos:
MEDLINE
Asunto principal:
Proteínas
/
Cristalografía por Rayos X
Idioma:
En
Revista:
Acta Crystallogr D Biol Crystallogr
Año:
2009
Tipo del documento:
Article
País de afiliación:
Alemania