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...
Ausführliche Beschreibung
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] |
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Format: |
E-Artikel |
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Sprache: |
Englisch |
Erschienen: |
2016 |
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Schlagwörter: |
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Übergeordnetes Werk: |
In: IUCrJ - International Union of Crystallography, 2014, 3(2016), 3, Seite 180-191 |
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Übergeordnetes Werk: |
volume:3 ; year:2016 ; number:3 ; pages:180-191 |
Links: |
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DOI / URN: |
10.1107/S2052252516002980 |
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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. | ||
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10.1107/S2052252516002980 doi (DE-627)DOAJ019783809 (DE-599)DOAJc7c6d401464143d0ada3d73be5ef51c2 DE-627 ger DE-627 rakwb eng QD901-999 Karol Nass verfasserin aut Protein structure determination by single-wavelength anomalous diffraction phasing of X-ray free-electron laser data 2016 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier 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. serial femtosecond crystallography SFX X-ray free-electron lasers XFELs SAD phasing single-wavelength anomalous diffraction Crystallography Anton Meinhart verfasserin aut Thomas R. M. Barends verfasserin aut Lutz Foucar verfasserin aut Alexander Gorel verfasserin aut Andrew Aquila verfasserin aut Sabine Botha verfasserin aut R. Bruce Doak verfasserin aut Jason Koglin verfasserin aut Mengning Liang verfasserin aut Robert L. Shoeman verfasserin aut Garth Williams verfasserin aut Sebastien Boutet verfasserin aut Ilme Schlichting verfasserin aut In IUCrJ International Union of Crystallography, 2014 3(2016), 3, Seite 180-191 (DE-627)777782758 (DE-600)2754953-7 20522525 nnns volume:3 year:2016 number:3 pages:180-191 https://doi.org/10.1107/S2052252516002980 kostenfrei https://doaj.org/article/c7c6d401464143d0ada3d73be5ef51c2 kostenfrei http://scripts.iucr.org/cgi-bin/paper?S2052252516002980 kostenfrei https://doaj.org/toc/2052-2525 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ SSG-OLC-PHA GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_213 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_2003 GBV_ILN_2014 GBV_ILN_4012 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4249 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4700 AR 3 2016 3 180-191 |
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10.1107/S2052252516002980 doi (DE-627)DOAJ019783809 (DE-599)DOAJc7c6d401464143d0ada3d73be5ef51c2 DE-627 ger DE-627 rakwb eng QD901-999 Karol Nass verfasserin aut Protein structure determination by single-wavelength anomalous diffraction phasing of X-ray free-electron laser data 2016 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier 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. serial femtosecond crystallography SFX X-ray free-electron lasers XFELs SAD phasing single-wavelength anomalous diffraction Crystallography Anton Meinhart verfasserin aut Thomas R. M. Barends verfasserin aut Lutz Foucar verfasserin aut Alexander Gorel verfasserin aut Andrew Aquila verfasserin aut Sabine Botha verfasserin aut R. Bruce Doak verfasserin aut Jason Koglin verfasserin aut Mengning Liang verfasserin aut Robert L. Shoeman verfasserin aut Garth Williams verfasserin aut Sebastien Boutet verfasserin aut Ilme Schlichting verfasserin aut In IUCrJ International Union of Crystallography, 2014 3(2016), 3, Seite 180-191 (DE-627)777782758 (DE-600)2754953-7 20522525 nnns volume:3 year:2016 number:3 pages:180-191 https://doi.org/10.1107/S2052252516002980 kostenfrei https://doaj.org/article/c7c6d401464143d0ada3d73be5ef51c2 kostenfrei http://scripts.iucr.org/cgi-bin/paper?S2052252516002980 kostenfrei https://doaj.org/toc/2052-2525 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ SSG-OLC-PHA GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_213 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_2003 GBV_ILN_2014 GBV_ILN_4012 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4249 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4700 AR 3 2016 3 180-191 |
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10.1107/S2052252516002980 doi (DE-627)DOAJ019783809 (DE-599)DOAJc7c6d401464143d0ada3d73be5ef51c2 DE-627 ger DE-627 rakwb eng QD901-999 Karol Nass verfasserin aut Protein structure determination by single-wavelength anomalous diffraction phasing of X-ray free-electron laser data 2016 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier 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. serial femtosecond crystallography SFX X-ray free-electron lasers XFELs SAD phasing single-wavelength anomalous diffraction Crystallography Anton Meinhart verfasserin aut Thomas R. M. Barends verfasserin aut Lutz Foucar verfasserin aut Alexander Gorel verfasserin aut Andrew Aquila verfasserin aut Sabine Botha verfasserin aut R. Bruce Doak verfasserin aut Jason Koglin verfasserin aut Mengning Liang verfasserin aut Robert L. Shoeman verfasserin aut Garth Williams verfasserin aut Sebastien Boutet verfasserin aut Ilme Schlichting verfasserin aut In IUCrJ International Union of Crystallography, 2014 3(2016), 3, Seite 180-191 (DE-627)777782758 (DE-600)2754953-7 20522525 nnns volume:3 year:2016 number:3 pages:180-191 https://doi.org/10.1107/S2052252516002980 kostenfrei https://doaj.org/article/c7c6d401464143d0ada3d73be5ef51c2 kostenfrei http://scripts.iucr.org/cgi-bin/paper?S2052252516002980 kostenfrei https://doaj.org/toc/2052-2525 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ SSG-OLC-PHA GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_213 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_2003 GBV_ILN_2014 GBV_ILN_4012 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4249 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4700 AR 3 2016 3 180-191 |
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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 |
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Protein structure determination by single-wavelength anomalous diffraction phasing of X-ray free-electron laser data |
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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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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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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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Protein structure determination by single-wavelength anomalous diffraction phasing of X-ray free-electron laser data |
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