Properties of Fourier Syntheses and New Syntheses

Autor: Maria Cristina Burla, Benedetta Carrozzini, Giovanni Luca Cascarano, Carmelo Giacovazzo, Giampiero Polidori

Publikováno v: Crystals, Vol 10, Iss 6, p 538 (2020)

In this study, the properties of observed, difference, and hybrid syntheses (hybrid indicates a combination of observed and difference syntheses) are investigated from two points of view. The first has a statistical nature and aims to estimate the am

Externí odkaz: https://doaj.org/article/b3f6998e5f8a4f40bdac60567c1ab5ea

How far are we from automatic crystal structure solution via molecular-replacement techniques?

Autor: Giampiero Polidori, Carmelo Giacovazzo, Maria Cristina Burla, Benedetta Carrozzini, Giovanni Luca Cascarano

Publikováno v: Acta Crystallographica. Section D, Structural Biology
Acta crystallographica. Section D (Online) 76 (2020): 9–18. doi:10.1107/S2059798319015468
info:cnr-pdr/source/autori:Burla, Maria Cristina; Carrozzini, Benedetta; Cascarano, Giovanni Luca; Giacovazzo, Carmelo; Polidori, Giampiero/titolo:How far are we from automatic crystal structure solution via molecular-replacement techniques?/doi:10.1107%2FS2059798319015468/rivista:Acta crystallographica. Section D (Online)/anno:2020/pagina_da:9/pagina_a:18/intervallo_pagine:9–18/volume:76

An automatic pipeline based on molecular-replacement phases is described for the automatic crystal structure solution of protein and DNA/RNA molecules.
Although the success of molecular-replacement techniques requires the solution of a six-dimen

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::51d8b8bcc5ab54dfa3ac6d02ad481f98
http://europepmc.org/articles/PMC6939436

Phasingviapure crystallographic least squares: an unexpected feature

Autor: Giampiero Polidori, Carmelo Giacovazzo, Benedetta Carrozzini, Maria Cristina Burla, Giovanni Luca Cascarano

Publikováno v: Acta crystallographica. Section A, Foundations of crystallography 74 (2018): 123–130. doi:10.1107/S2053273318001407
info:cnr-pdr/source/autori:Burla M.C.; Carrozzini B.; Cascarano G.L.; Giacovazzo C.; Polidori G./titolo:Phasing via pure crystallographic least squares: An unexpected feature/doi:10.1107%2FS2053273318001407/rivista:Acta crystallographica. Section A, Foundations of crystallography/anno:2018/pagina_da:123/pagina_a:130/intervallo_pagine:123–130/volume:74

Crystallographic least-squares techniques, the main tool for crystal structure refinement of small and medium-size molecules, are for the first time used for ab initio phasing. It is shown that the chief obstacle to such use, the least-squares severe

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bf81619aa9276c6a17adb0c8d048870e
https://doi.org/10.1107/s2053273318001407

Refining a model electron-density mapviathePhantom Derivativemethod

Autor: Benedetta Carrozzini, Carmelo Giacovazzo, Maria Cristina Burla, Giampiero Polidori, Giovanni Luca Cascarano

Publikováno v: Acta crystallographica. Section D (Online) 71 (2015): 1864–1871. doi:10.1107/S1399004715013024
info:cnr-pdr/source/autori:Burla M.C.; Carrozzini B.; Cascarano G.L.; Giacovazzo C.; Polidori G./titolo:Refining a model electron-density map via the Phantom Derivative method/doi:10.1107%2FS1399004715013024/rivista:Acta crystallographica. Section D (Online)/anno:2015/pagina_da:1864/pagina_a:1871/intervallo_pagine:1864–1871/volume:71

ThePhantom Derivative(PhD) method [Giacovazzo (2015),Acta Cryst.A71, 483–512] has recently been described forab initioand non-ab initiophasing. It is based on the random generation of structures with the same unit cell and the same space group as t

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::950c8c70510a39f4fc3cf45e237ef990
https://doi.org/10.1107/s1399004715013024

Solving proteins at non-atomic resolution by direct methods: Update

Autor: Giovanni Luca Cascarano, Giampiero Polidori, Carmelo Giacovazzo, Maria Cristina Burla, Benedetta Carrozzini

Publikováno v: Journal of applied crystallography 50 (2017): 1048–1055. doi:10.1107/S1600576717007300
info:cnr-pdr/source/autori:Burla M.C. 1-2); Carrozzini B. 2); Cascarano G.L. 2); Giacovazzo C. 2); Polidori G. 2)/titolo:Solving proteins at non-atomic resolution by direct methods: Update/doi:10.1107%2FS1600576717007300/rivista:Journal of applied crystallography/anno:2017/pagina_da:1048/pagina_a:1055/intervallo_pagine:1048–1055/volume:50

Direct methods can be used to solve proteins of great structural complexity even when diffraction data are at non-atomic resolution. However, one of the main obstacles to the wider application of direct methods is that they reliably phase only a smal

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::92d7194c0e97ab90c619021c4f5e244f
https://publications.cnr.it/doc/378272