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Noncrystallographic symmetry-constrained map obtained by direct density optimization

Noncrystallographic symmetry (NCS) averaging following molecular-replacement phasing is generally the major technique used to solve a structure with several molecules in one asymmetric unit, such as a spherical icosahedral viral particle. As an alternative method to NCS averaging, a new approach to...

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Detalles Bibliográficos
Autores principales: Yoshimura, Masato, Chen, Nai-Chi, Guan, Hong-Hsiang, Chuankhayan, Phimonphan, Lin, Chien-Chih, Nakagawa, Atsushi, Chen, Chun-Jung
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7008515/
https://www.ncbi.nlm.nih.gov/pubmed/32038045
http://dx.doi.org/10.1107/S2059798319017297
Descripción
Sumario:Noncrystallographic symmetry (NCS) averaging following molecular-replacement phasing is generally the major technique used to solve a structure with several molecules in one asymmetric unit, such as a spherical icosahedral viral particle. As an alternative method to NCS averaging, a new approach to optimize or to refine the electron density directly under NCS constraints is proposed. This method has the same effect as the conventional NCS-averaging method but does not include the process of Fourier synthesis to generate the electron density from amplitudes and the corresponding phases. It has great merit for the solution of structures with limited data that are either twinned or incomplete at low resolution. This method was applied to the case of the T = 1 shell-domain subviral particle of Penaeus vannamei nodavirus with data affected by twinning using the REFMAC5 refinement software.