Protein structure determination by single-wavelength anomalous diffraction phasing of X-ray free-electron laser data

Serial femtosecond crystallography (SFX) at X-ray free-electron lasers (XFELs) offers unprecedented possibilities for macromolecular structure determination of systems that are prone to radiation damage. However, phasing XFEL data de novo is complicated by the inherent inaccuracy of SFX data, and on...
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Autor*in:	Karol Nass [verfasserIn] Anton Meinhart [verfasserIn] Thomas R. M. Barends [verfasserIn] Lutz Foucar [verfasserIn] Alexander Gorel [verfasserIn] Andrew Aquila [verfasserIn] Sabine Botha [verfasserIn] R. Bruce Doak [verfasserIn] Jason Koglin [verfasserIn] Mengning Liang [verfasserIn] Robert L. Shoeman [verfasserIn] Garth Williams [verfasserIn] Sebastien Boutet [verfasserIn] Ilme Schlichting [verfasserIn]

Format:	E-Artikel
Sprache:	Englisch

Erschienen:	2016

Schlagwörter:	serial femtosecond crystallography SFX X-ray free-electron lasers XFELs SAD phasing single-wavelength anomalous diffraction

Übergeordnetes Werk:	In: IUCrJ - International Union of Crystallography, 2014, 3(2016), 3, Seite 180-191
Übergeordnetes Werk:	volume:3 ; year:2016 ; number:3 ; pages:180-191

Links:	Link aufrufen Link aufrufen Link aufrufen Journal toc

DOI / URN:	10.1107/S2052252516002980

Katalog-ID:	DOAJ019783809

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520			\|a Serial femtosecond crystallography (SFX) at X-ray free-electron lasers (XFELs) offers unprecedented possibilities for macromolecular structure determination of systems that are prone to radiation damage. However, phasing XFEL data de novo is complicated by the inherent inaccuracy of SFX data, and only a few successful examples, mostly based on exceedingly strong anomalous or isomorphous difference signals, have been reported. Here, it is shown that SFX data from thaumatin microcrystals can be successfully phased using only the weak anomalous scattering from the endogenous S atoms. Moreover, a step-by-step investigation is presented of the particular problems of SAD phasing of SFX data, analysing data from a derivative with a strong anomalous signal as well as the weak signal from endogenous S atoms.
650		4	\|a serial femtosecond crystallography
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650		4	\|a X-ray free-electron lasers
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650		4	\|a single-wavelength anomalous diffraction
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callnumber-first	Q - Science
author	Karol Nass
spellingShingle	Karol Nass misc QD901-999 misc serial femtosecond crystallography misc SFX misc X-ray free-electron lasers misc XFELs misc SAD phasing misc single-wavelength anomalous diffraction misc Crystallography Protein structure determination by single-wavelength anomalous diffraction phasing of X-ray free-electron laser data
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topic_title	QD901-999 Protein structure determination by single-wavelength anomalous diffraction phasing of X-ray free-electron laser data serial femtosecond crystallography SFX X-ray free-electron lasers XFELs SAD phasing single-wavelength anomalous diffraction
topic	misc QD901-999 misc serial femtosecond crystallography misc SFX misc X-ray free-electron lasers misc XFELs misc SAD phasing misc single-wavelength anomalous diffraction misc Crystallography
topic_unstemmed	misc QD901-999 misc serial femtosecond crystallography misc SFX misc X-ray free-electron lasers misc XFELs misc SAD phasing misc single-wavelength anomalous diffraction misc Crystallography
topic_browse	misc QD901-999 misc serial femtosecond crystallography misc SFX misc X-ray free-electron lasers misc XFELs misc SAD phasing misc single-wavelength anomalous diffraction misc Crystallography
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title	Protein structure determination by single-wavelength anomalous diffraction phasing of X-ray free-electron laser data
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title_full	Protein structure determination by single-wavelength anomalous diffraction phasing of X-ray free-electron laser data
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author_browse	Karol Nass Anton Meinhart Thomas R. M. Barends Lutz Foucar Alexander Gorel Andrew Aquila Sabine Botha R. Bruce Doak Jason Koglin Mengning Liang Robert L. Shoeman Garth Williams Sebastien Boutet Ilme Schlichting
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title_sort	protein structure determination by single-wavelength anomalous diffraction phasing of x-ray free-electron laser data
callnumber	QD901-999
title_auth	Protein structure determination by single-wavelength anomalous diffraction phasing of X-ray free-electron laser data
abstract	Serial femtosecond crystallography (SFX) at X-ray free-electron lasers (XFELs) offers unprecedented possibilities for macromolecular structure determination of systems that are prone to radiation damage. However, phasing XFEL data de novo is complicated by the inherent inaccuracy of SFX data, and only a few successful examples, mostly based on exceedingly strong anomalous or isomorphous difference signals, have been reported. Here, it is shown that SFX data from thaumatin microcrystals can be successfully phased using only the weak anomalous scattering from the endogenous S atoms. Moreover, a step-by-step investigation is presented of the particular problems of SAD phasing of SFX data, analysing data from a derivative with a strong anomalous signal as well as the weak signal from endogenous S atoms.
abstractGer	Serial femtosecond crystallography (SFX) at X-ray free-electron lasers (XFELs) offers unprecedented possibilities for macromolecular structure determination of systems that are prone to radiation damage. However, phasing XFEL data de novo is complicated by the inherent inaccuracy of SFX data, and only a few successful examples, mostly based on exceedingly strong anomalous or isomorphous difference signals, have been reported. Here, it is shown that SFX data from thaumatin microcrystals can be successfully phased using only the weak anomalous scattering from the endogenous S atoms. Moreover, a step-by-step investigation is presented of the particular problems of SAD phasing of SFX data, analysing data from a derivative with a strong anomalous signal as well as the weak signal from endogenous S atoms.
abstract_unstemmed	Serial femtosecond crystallography (SFX) at X-ray free-electron lasers (XFELs) offers unprecedented possibilities for macromolecular structure determination of systems that are prone to radiation damage. However, phasing XFEL data de novo is complicated by the inherent inaccuracy of SFX data, and only a few successful examples, mostly based on exceedingly strong anomalous or isomorphous difference signals, have been reported. Here, it is shown that SFX data from thaumatin microcrystals can be successfully phased using only the weak anomalous scattering from the endogenous S atoms. Moreover, a step-by-step investigation is presented of the particular problems of SAD phasing of SFX data, analysing data from a derivative with a strong anomalous signal as well as the weak signal from endogenous S atoms.
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title_short	Protein structure determination by single-wavelength anomalous diffraction phasing of X-ray free-electron laser data
url	https://doi.org/10.1107/S2052252516002980 https://doaj.org/article/c7c6d401464143d0ada3d73be5ef51c2 http://scripts.iucr.org/cgi-bin/paper?S2052252516002980 https://doaj.org/toc/2052-2525
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author2	Anton Meinhart Thomas R. M. Barends Lutz Foucar Alexander Gorel Andrew Aquila Sabine Botha R. Bruce Doak Jason Koglin Mengning Liang Robert L. Shoeman Garth Williams Sebastien Boutet Ilme Schlichting
author2Str	Anton Meinhart Thomas R. M. Barends Lutz Foucar Alexander Gorel Andrew Aquila Sabine Botha R. Bruce Doak Jason Koglin Mengning Liang Robert L. Shoeman Garth Williams Sebastien Boutet Ilme Schlichting
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up_date	2024-07-04T00:56:51.465Z
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Protein structure determination by single-wavelength anomalous diffraction phasing of X-ray free-electron laser data

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