SIR2004: an improved tool for crystal structure determination and refinement

Autor: Burla M.C. 1, Caliandro R. 2, Camalli M. 3, Carrozzini B. 2, Cascarano G.L. 2, De Caro L. 2, Giacovazzo C. 2, 4, Polidori G. 1, Spagna R. 3

Publikováno v: Journal of applied crystallography 38 (2005): 381–388. doi:10.1107/S002188980403225X
info:cnr-pdr/source/autori:Burla M.C. 1, Caliandro R. 2, Camalli M. 3, Carrozzini B. 2, Cascarano G.L. 2, De Caro L. 2, Giacovazzo C. 2,4, Polidori G. 1 and Spagna R. 3/titolo:SIR2004: an improved tool for crystal structure determination and refinement/doi:10.1107%2FS002188980403225X/rivista:Journal of applied crystallography/anno:2005/pagina_da:381/pagina_a:388/intervallo_pagine:381–388/volume:38

SIR2004is the evolution of theSIR2002program [Burla, Camalli, Carrozzini, Cascarano, Giacovazzo, Polidori & Spagna (2003).J. Appl. Cryst.36, 1103]. It is devoted to the solution of crystal structures by direct and Patterson methods. Several new featu

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4392999bd5eb995a266af91c7a86049d
https://doi.org/10.1107/s002188980403225x

Use of Patterson-based methods automatically to determine the structures of heavy-atom-containing proteins with up to 6000 non-hydrogen atoms in the asymmetric unit

Autor: Burla M.C. 1, Caliandro R. 2, Carrozzini B. 2, Cascarano G.L. 2, De Caro L. 2, Giacovazzo C. 2, 3, Polidori G. 1, Siliqi D. 2

Publikováno v: Journal of applied crystallography 39 (2006): 728–734. doi:10.1107/S0021889806028548
info:cnr-pdr/source/autori:Burla M.C. 1, Caliandro R. 2, Carrozzini B. 2, Cascarano G.L. 2, De Caro L. 2, Giacovazzo C. 2,3, Polidori G. 1, Siliqi D. 2/titolo:Use of Patterson-based methods automatically to determine the structures of heavy-atom-containing proteins with up to 6000 non-hydrogen atoms in the asymmetric unit/doi:10.1107%2FS0021889806028548/rivista:Journal of applied crystallography/anno:2006/pagina_da:728/pagina_a:734/intervallo_pagine:728–734/volume:39

The Patterson superposition methods described by Burlaet al.[J. Appl. Cryst.(2006),39, 527–535], based on the use of the `multiple implication functions', have been enriched by supplementary filtering techniques based on some general (resolution-de

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9fd6c88f577d3851fd44896bcd12e1e7
http://hdl.handle.net/11391/157943

The revenge of the Patterson methods. II. Substructure applications

Autor: Dritan Siliqi, Giampiero Polidori, Maria Cristina Burla, Rocco Caliandro, C. Giacovazzo, Liberato De Caro, Benedetta Carrozzini, Giovanni Luca Cascarano

Publikováno v: Journal of applied crystallography 40 (2007): 211–217. doi:10.1107/S0021889806052058
info:cnr-pdr/source/autori:Burla M.C. 1, Caliandro R. 2, Carrozzini B. 2, Cascarano G.L. 2, De Caro L. 2, Giacovazzo C. 2, Polidori G. 1, Siliqi D. 2/titolo:The revenge of the Patterson methods. II. Substructure applications/doi:10.1107%2FS0021889806052058/rivista:Journal of applied crystallography/anno:2007/pagina_da:211/pagina_a:217/intervallo_pagine:211–217/volume:40

The Patterson techniques, recently developed by the same authors for theab initiocrystal structure solution of proteins, have been applied to single and multiple anomalous diffraction (SAD and MAD) data to find the substructure of the anomalous scatt

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f2fd85f3aed9d57cb6e90e686d5c3c5b
https://doi.org/10.1107/s0021889806052058

The instrumental resolution function of synchrotron radiation powder diffractometers in the presence of focusing optics

Autor: Fabia Gozzo, Bernd Schmitt, Antonietta Guagliardi, Andrea Prodi, Liberato De Caro, Cinzia Giannini

Publikováno v: Journal of applied crystallography 39 (2006): 347–357. doi:10.1107/S0021889806009319
info:cnr-pdr/source/autori:Gozzo F. 1, De Caro L. 2, Giannini C. 2, Guagliardi A. 2, Schmitt B. 1, Prodi A. 1/titolo:The instrumental resolution function of synchrotron radiation podwer diffractometers in the presence of focusing optics/doi:10.1107%2FS0021889806009319/rivista:Journal of applied crystallography/anno:2006/pagina_da:347/pagina_a:357/intervallo_pagine:347–357/volume:39

The theory developed by Caglioti and co-workers [Caglioti, Paoletti & Ricci (1958).Nucl. Instrum.3, 223–228; Caglioti, Paoletti & Ricci (1960).Nucl. Instrum. Methods,9, 195–198; Caglioti & Ricci (1962).Nucl. Instrum. Methods,15, 155–163] and Sa

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::be6b80ee52935bf123824679e6ebb9de
https://doi.org/10.1107/s0021889806009319

Ab initio protein phasing at 1.4 A resolution: the new phasing approach of SIR2003-N

Autor: Liberato De Caro, Maria Cristina Burla, Benedetta Carrozzini, Rocco Caliandro, Giovanni Luca Cascarano, Carmelo Giacovazzo, Giampiero Polidori

Publikováno v: Joint Congress AIC-SILS (Associazione Italiana di Cristallografia-Società Italiana Luce di Sincrotrone), Trieste, 2003
info:cnr-pdr/source/autori:Burla M.C., Carrozzini B., Caliandro R., Cascarano G.L., De Caro L., Giacovazzo C., Polidori G./congresso_nome:Joint Congress AIC-SILS (Associazione Italiana di Cristallografia-Società Italiana Luce di Sincrotrone)/congresso_luogo:Trieste/congresso_data:2003/anno:2003/pagina_da:/pagina_a:/intervallo_pagine
Acta crystallographica. Section A, Foundations of crystallography 59 (2003): 560–568. doi:10.1107/S0108767303020257
info:cnr-pdr/source/autori:Burla M.C. 1, Carrozzini B. 2, Caliandro R. 2, Cascarano G.L. 2, De Caro L. 2, Giacovazzo C. 3, Polidori G. 1/titolo:Ab initio protein phasing at 1.4Å resolution: the new phasing approach of SIR2003-N/doi:10.1107%2FS0108767303020257/rivista:Acta crystallographica. Section A, Foundations of crystallography/anno:2003/pagina_da:560/pagina_a:568/intervallo_pagine:560–568/volume:59

New algorithms for solving ab initio protein crystal structures have been identified and implemented in a modified version of the program SIR2002. They succeed in solving numerous protein structures diffracting at atomic resolution; the solution was

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e53823ff481ba249017a1f4f34e12f0a
https://pubmed.ncbi.nlm.nih.gov/14581755