Perdeuteration: improved visualization of solvent structure in neutron macromolecular crystallography

Autores
Fisher, S. J.; Blakeley, M. P.; Howard, Eduardo Ignacio; Petit Haertlein, I.; Haertlein, M.; Mitschler, A.; Cousido Siah, A.; Salvay, Andrés Gerardo; Popov, A.; Muller Dieckmann, C.; Petrova, T.; Podjarny, A.
Año de publicación
2014
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The 1.8 Å resolution neutron structure of deuterated type III antifreeze protein in which the methyl groups of leucine and valine residues are selectively protonated is presented. Comparison between this and the 1.85 Å resolution neutron structure of perdeuterated type III antifreeze protein indicates that perdeuteration improves the visibility of solvent molecules located in close vicinity to hydrophobic residues, as cancellation effects between H atoms of the methyl groups and nearby heavy-water molecules (D2O) are avoided.
Fil: Fisher, S. J.. Institut Laue Langevin; Francia. University of Salzburg; Alemania
Fil: Blakeley, M. P.. Institut Laue Langevin; Francia
Fil: Howard, Eduardo Ignacio. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Física de Líquidos y Sistemas Biológicos. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Física de Líquidos y Sistemas Biológicos; Argentina
Fil: Petit Haertlein, I.. Institut Laue Langevin; Francia
Fil: Haertlein, M.. Institut Laue Langevin; Francia
Fil: Mitschler, A.. Université de Strasbourg; Francia
Fil: Cousido Siah, A.. Université de Strasbourg; Francia
Fil: Salvay, Andrés Gerardo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Física de Líquidos y Sistemas Biológicos. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Física de Líquidos y Sistemas Biológicos; Argentina. Universidad Nacional de Quilmes; Argentina
Fil: Popov, A.. European Synchrotron Radiation; Francia
Fil: Muller Dieckmann, C.. European Synchrotron Radiation; Francia
Fil: Petrova, T.. Russian Academy of Sciences; Rusia
Fil: Podjarny, A.. Université de Strasbourg; Francia
Materia
Neutron Macromolecular Crystallography
Perdeuteration
Solvent Visibility
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/34284
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/34284
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Perdeuteration: improved visualization of solvent structure in neutron macromolecular crystallographyFisher, S. J.Blakeley, M. P.Howard, Eduardo IgnacioPetit Haertlein, I.Haertlein, M.Mitschler, A.Cousido Siah, A.Salvay, Andrés GerardoPopov, A.Muller Dieckmann, C.Petrova, T.Podjarny, A.Neutron Macromolecular CrystallographyPerdeuterationSolvent Visibilityhttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1https://purl.org/becyt/ford/1.6https://purl.org/becyt/ford/1The 1.8 Å resolution neutron structure of deuterated type III antifreeze protein in which the methyl groups of leucine and valine residues are selectively protonated is presented. Comparison between this and the 1.85 Å resolution neutron structure of perdeuterated type III antifreeze protein indicates that perdeuteration improves the visibility of solvent molecules located in close vicinity to hydrophobic residues, as cancellation effects between H atoms of the methyl groups and nearby heavy-water molecules (D2O) are avoided.Fil: Fisher, S. J.. Institut Laue Langevin; Francia. University of Salzburg; AlemaniaFil: Blakeley, M. P.. Institut Laue Langevin; FranciaFil: Howard, Eduardo Ignacio. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Física de Líquidos y Sistemas Biológicos. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Física de Líquidos y Sistemas Biológicos; ArgentinaFil: Petit Haertlein, I.. Institut Laue Langevin; FranciaFil: Haertlein, M.. Institut Laue Langevin; FranciaFil: Mitschler, A.. Université de Strasbourg; FranciaFil: Cousido Siah, A.. Université de Strasbourg; FranciaFil: Salvay, Andrés Gerardo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Física de Líquidos y Sistemas Biológicos. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Física de Líquidos y Sistemas Biológicos; Argentina. Universidad Nacional de Quilmes; ArgentinaFil: Popov, A.. European Synchrotron Radiation; FranciaFil: Muller Dieckmann, C.. European Synchrotron Radiation; FranciaFil: Petrova, T.. Russian Academy of Sciences; RusiaFil: Podjarny, A.. Université de Strasbourg; FranciaWiley2014-12info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/34284Fisher, S. J.; Blakeley, M. P.; Howard, Eduardo Ignacio; Petit Haertlein, I.; Haertlein, M.; et al.; Perdeuteration: improved visualization of solvent structure in neutron macromolecular crystallography; Wiley; Acta Crystallographica Section D-biological Crystallography; 70; 12; 12-2014; 3266-32720907-4449CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/http://onlinelibrary.wiley.com/doi/10.1107/S1399004714021610/abstractinfo:eu-repo/semantics/altIdentifier/doi/10.1107/S1399004714021610info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-10-22T12:04:48Zoai:ri.conicet.gov.ar:11336/34284instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-10-22 12:04:49.01CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Perdeuteration: improved visualization of solvent structure in neutron macromolecular crystallography
title Perdeuteration: improved visualization of solvent structure in neutron macromolecular crystallography
spellingShingle Perdeuteration: improved visualization of solvent structure in neutron macromolecular crystallography
Fisher, S. J.
Neutron Macromolecular Crystallography
Perdeuteration
Solvent Visibility
title_short Perdeuteration: improved visualization of solvent structure in neutron macromolecular crystallography
title_full Perdeuteration: improved visualization of solvent structure in neutron macromolecular crystallography
title_fullStr Perdeuteration: improved visualization of solvent structure in neutron macromolecular crystallography
title_full_unstemmed Perdeuteration: improved visualization of solvent structure in neutron macromolecular crystallography
title_sort Perdeuteration: improved visualization of solvent structure in neutron macromolecular crystallography
dc.creator.none.fl_str_mv Fisher, S. J.
Blakeley, M. P.
Howard, Eduardo Ignacio
Petit Haertlein, I.
Haertlein, M.
Mitschler, A.
Cousido Siah, A.
Salvay, Andrés Gerardo
Popov, A.
Muller Dieckmann, C.
Petrova, T.
Podjarny, A.
author Fisher, S. J.
author_facet Fisher, S. J.
Blakeley, M. P.
Howard, Eduardo Ignacio
Petit Haertlein, I.
Haertlein, M.
Mitschler, A.
Cousido Siah, A.
Salvay, Andrés Gerardo
Popov, A.
Muller Dieckmann, C.
Petrova, T.
Podjarny, A.
author_role author
author2 Blakeley, M. P.
Howard, Eduardo Ignacio
Petit Haertlein, I.
Haertlein, M.
Mitschler, A.
Cousido Siah, A.
Salvay, Andrés Gerardo
Popov, A.
Muller Dieckmann, C.
Petrova, T.
Podjarny, A.
author2_role author
author
author
author
author
author
author
author
author
author
author
dc.subject.none.fl_str_mv Neutron Macromolecular Crystallography
Perdeuteration
Solvent Visibility
topic Neutron Macromolecular Crystallography
Perdeuteration
Solvent Visibility
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
https://purl.org/becyt/ford/1.6
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv The 1.8 Å resolution neutron structure of deuterated type III antifreeze protein in which the methyl groups of leucine and valine residues are selectively protonated is presented. Comparison between this and the 1.85 Å resolution neutron structure of perdeuterated type III antifreeze protein indicates that perdeuteration improves the visibility of solvent molecules located in close vicinity to hydrophobic residues, as cancellation effects between H atoms of the methyl groups and nearby heavy-water molecules (D2O) are avoided.
Fil: Fisher, S. J.. Institut Laue Langevin; Francia. University of Salzburg; Alemania
Fil: Blakeley, M. P.. Institut Laue Langevin; Francia
Fil: Howard, Eduardo Ignacio. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Física de Líquidos y Sistemas Biológicos. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Física de Líquidos y Sistemas Biológicos; Argentina
Fil: Petit Haertlein, I.. Institut Laue Langevin; Francia
Fil: Haertlein, M.. Institut Laue Langevin; Francia
Fil: Mitschler, A.. Université de Strasbourg; Francia
Fil: Cousido Siah, A.. Université de Strasbourg; Francia
Fil: Salvay, Andrés Gerardo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Física de Líquidos y Sistemas Biológicos. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Física de Líquidos y Sistemas Biológicos; Argentina. Universidad Nacional de Quilmes; Argentina
Fil: Popov, A.. European Synchrotron Radiation; Francia
Fil: Muller Dieckmann, C.. European Synchrotron Radiation; Francia
Fil: Petrova, T.. Russian Academy of Sciences; Rusia
Fil: Podjarny, A.. Université de Strasbourg; Francia
description The 1.8 Å resolution neutron structure of deuterated type III antifreeze protein in which the methyl groups of leucine and valine residues are selectively protonated is presented. Comparison between this and the 1.85 Å resolution neutron structure of perdeuterated type III antifreeze protein indicates that perdeuteration improves the visibility of solvent molecules located in close vicinity to hydrophobic residues, as cancellation effects between H atoms of the methyl groups and nearby heavy-water molecules (D2O) are avoided.
publishDate 2014
dc.date.none.fl_str_mv 2014-12
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/34284
Fisher, S. J.; Blakeley, M. P.; Howard, Eduardo Ignacio; Petit Haertlein, I.; Haertlein, M.; et al.; Perdeuteration: improved visualization of solvent structure in neutron macromolecular crystallography; Wiley; Acta Crystallographica Section D-biological Crystallography; 70; 12; 12-2014; 3266-3272
0907-4449
CONICET Digital
CONICET
url http://hdl.handle.net/11336/34284
identifier_str_mv Fisher, S. J.; Blakeley, M. P.; Howard, Eduardo Ignacio; Petit Haertlein, I.; Haertlein, M.; et al.; Perdeuteration: improved visualization of solvent structure in neutron macromolecular crystallography; Wiley; Acta Crystallographica Section D-biological Crystallography; 70; 12; 12-2014; 3266-3272
0907-4449
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/http://onlinelibrary.wiley.com/doi/10.1107/S1399004714021610/abstract
info:eu-repo/semantics/altIdentifier/doi/10.1107/S1399004714021610
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
application/pdf
dc.publisher.none.fl_str_mv Wiley
publisher.none.fl_str_mv Wiley
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
_version_ 1846782399189352448
score 12.982451

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