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.
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| Title: | 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. |
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| Authors: | Burla, Maria Cristina1, Caliandro, Rocco2, Carrozzini, Benedetta2, Cascarano, Giovanni Luca2, De Caro, Liberato2, Giacovazzo, Carmelo2,3 carmelo.giacovazzo@ic.cnr.it, Polidori, Giampiero1, Siliqi, Dritan2 |
| Source: | Journal of Applied Crystallography. Oct2006, Vol. 39 Issue 5, p728-734. 7p. 2 Charts, 3 Graphs. |
| Subjects: | Patterson function, Superposition principle (Physics), Electron distribution, Hydrogen, Molecular structure, Crystallography |
| Abstract: | The Patterson superposition methods described by Burla et 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-dependent) features of both the Patterson and the electron density maps. The method has been implemented in a modified version of the program SIR2004 and tested using a set of 20 crystal structures selected from the Protein Data Bank, having a number of non-hydrogen atoms in the asymmetric unit larger than 2000, atomic resolution data and some heavy atoms (equal to or heavier than Ca). The new phasing procedure is able to solve most of the test structures, among which there are two proteins with more than 6000 non-hydrogen atoms in the asymmetric unit, so extending by far the complexity today commonly considered as the limit for Patterson-based methods ( i.e. about 2000 non-hydrogen atoms). [ABSTRACT FROM AUTHOR] |
| Copyright of Journal of Applied Crystallography is the property of Wiley-Blackwell and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.) | |
| Database: | Engineering Source |
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| Header | DbId: egs DbLabel: Engineering Source An: 22390233 AccessLevel: 6 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 0 |
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| Items | – Name: Title Label: Title Group: Ti Data: 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. – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AR" term="%22Burla%2C+Maria+Cristina%22">Burla, Maria Cristina</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AR" term="%22Caliandro%2C+Rocco%22">Caliandro, Rocco</searchLink><relatesTo>2</relatesTo><br /><searchLink fieldCode="AR" term="%22Carrozzini%2C+Benedetta%22">Carrozzini, Benedetta</searchLink><relatesTo>2</relatesTo><br /><searchLink fieldCode="AR" term="%22Cascarano%2C+Giovanni+Luca%22">Cascarano, Giovanni Luca</searchLink><relatesTo>2</relatesTo><br /><searchLink fieldCode="AR" term="%22De+Caro%2C+Liberato%22">De Caro, Liberato</searchLink><relatesTo>2</relatesTo><br /><searchLink fieldCode="AR" term="%22Giacovazzo%2C+Carmelo%22">Giacovazzo, Carmelo</searchLink><relatesTo>2,3</relatesTo><i> carmelo.giacovazzo@ic.cnr.it</i><br /><searchLink fieldCode="AR" term="%22Polidori%2C+Giampiero%22">Polidori, Giampiero</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AR" term="%22Siliqi%2C+Dritan%22">Siliqi, Dritan</searchLink><relatesTo>2</relatesTo> – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%22Journal+of+Applied+Crystallography%22">Journal of Applied Crystallography</searchLink>. Oct2006, Vol. 39 Issue 5, p728-734. 7p. 2 Charts, 3 Graphs. – Name: Subject Label: Subjects Group: Su Data: <searchLink fieldCode="DE" term="%22Patterson+function%22">Patterson function</searchLink><br /><searchLink fieldCode="DE" term="%22Superposition+principle+%28Physics%29%22">Superposition principle (Physics)</searchLink><br /><searchLink fieldCode="DE" term="%22Electron+distribution%22">Electron distribution</searchLink><br /><searchLink fieldCode="DE" term="%22Hydrogen%22">Hydrogen</searchLink><br /><searchLink fieldCode="DE" term="%22Molecular+structure%22">Molecular structure</searchLink><br /><searchLink fieldCode="DE" term="%22Crystallography%22">Crystallography</searchLink> – Name: Abstract Label: Abstract Group: Ab Data: The Patterson superposition methods described by Burla et 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-dependent) features of both the Patterson and the electron density maps. The method has been implemented in a modified version of the program SIR2004 and tested using a set of 20 crystal structures selected from the Protein Data Bank, having a number of non-hydrogen atoms in the asymmetric unit larger than 2000, atomic resolution data and some heavy atoms (equal to or heavier than Ca). The new phasing procedure is able to solve most of the test structures, among which there are two proteins with more than 6000 non-hydrogen atoms in the asymmetric unit, so extending by far the complexity today commonly considered as the limit for Patterson-based methods ( i.e. about 2000 non-hydrogen atoms). [ABSTRACT FROM AUTHOR] – Name: AbstractSuppliedCopyright Label: Group: Ab Data: <i>Copyright of Journal of Applied Crystallography is the property of Wiley-Blackwell and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.) |
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| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.1107/S0021889806028548 Languages: – Code: eng Text: English PhysicalDescription: Pagination: PageCount: 7 StartPage: 728 Subjects: – SubjectFull: Patterson function Type: general – SubjectFull: Superposition principle (Physics) Type: general – SubjectFull: Electron distribution Type: general – SubjectFull: Hydrogen Type: general – SubjectFull: Molecular structure Type: general – SubjectFull: Crystallography Type: general Titles: – TitleFull: 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. Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Burla, Maria Cristina – PersonEntity: Name: NameFull: Caliandro, Rocco – PersonEntity: Name: NameFull: Carrozzini, Benedetta – PersonEntity: Name: NameFull: Cascarano, Giovanni Luca – PersonEntity: Name: NameFull: De Caro, Liberato – PersonEntity: Name: NameFull: Giacovazzo, Carmelo – PersonEntity: Name: NameFull: Polidori, Giampiero – PersonEntity: Name: NameFull: Siliqi, Dritan IsPartOfRelationships: – BibEntity: Dates: – D: 01 M: 10 Text: Oct2006 Type: published Y: 2006 Identifiers: – Type: issn-print Value: 00218898 Numbering: – Type: volume Value: 39 – Type: issue Value: 5 Titles: – TitleFull: Journal of Applied Crystallography Type: main |
| ResultId | 1 |
