Shock Damage Analysis in Serial Femtosecond Crystallography Data Collected at MHz X-ray Free-Electron Lasers

Serial femtosecond crystallography (SFX) data were recorded at the European X-ray free-electron laser facility (EuXFEL) with protein microcrystals delivered via a microscopic liquid jet. An XFEL beam striking such a jet may launch supersonic shock waves up the jet, compromising the oncoming sample....
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Autor*in:	Alexander Gorel [verfasserIn] Marie Luise Grünbein [verfasserIn] Richard Bean [verfasserIn] Johan Bielecki [verfasserIn] Mario Hilpert [verfasserIn] Michele Cascella [verfasserIn] Jacques-Philippe Colletier [verfasserIn] Hans Fangohr [verfasserIn] Lutz Foucar [verfasserIn] Elisabeth Hartmann [verfasserIn] Mark S. Hunter [verfasserIn] Henry Kirkwood [verfasserIn] Marco Kloos [verfasserIn] Romain Letrun [verfasserIn] Thomas Michelat [verfasserIn] Robert L. Shoeman [verfasserIn] Jolanta Sztuk-Dambietz [verfasserIn] Guillaume Tetreau [verfasserIn] Herbert Zimmermann [verfasserIn] Adrian P. Mancuso [verfasserIn] Thomas R.M. Barends [verfasserIn] R. Bruce Doak [verfasserIn] Claudiu Andrei Stan [verfasserIn] Ilme Schlichting [verfasserIn]

Format:	E-Artikel
Sprache:	Englisch

Erschienen:	2020

Schlagwörter:	X-ray free-electron laser serial femtosecond crystallography shock wave protein crystallography

Übergeordnetes Werk:	In: Crystals - MDPI AG, 2011, 10(2020), 12, p 1145
Übergeordnetes Werk:	volume:10 ; year:2020 ; number:12, p 1145

Links:	Link aufrufen Link aufrufen Link aufrufen Journal toc

DOI / URN:	10.3390/cryst10121145

Katalog-ID:	DOAJ031464459

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allfieldsSound	10.3390/cryst10121145 doi (DE-627)DOAJ031464459 (DE-599)DOAJfd9e1d338b5347578e33696daddf4656 DE-627 ger DE-627 rakwb eng QD901-999 Alexander Gorel verfasserin aut Shock Damage Analysis in Serial Femtosecond Crystallography Data Collected at MHz X-ray Free-Electron Lasers 2020 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Serial femtosecond crystallography (SFX) data were recorded at the European X-ray free-electron laser facility (EuXFEL) with protein microcrystals delivered via a microscopic liquid jet. An XFEL beam striking such a jet may launch supersonic shock waves up the jet, compromising the oncoming sample. To investigate this efficiently, we employed a novel XFEL pulse pattern to nominally expose the sample to between zero and four shock waves before being probed. Analyzing hit rate, indexing rate, and resolution for diffraction data recorded at MHz pulse rates, we found no evidence of damage. Notably, however, this conclusion could only be drawn after careful identification and assimilation of numerous interrelated experimental factors, which we describe in detail. Failure to do so would have led to an erroneous conclusion. Femtosecond photography of the sample-carrying jet revealed critically different jet behavior from that of all homogeneous liquid jets studied to date in this manner. X-ray free-electron laser serial femtosecond crystallography shock wave protein crystallography Crystallography Marie Luise Grünbein verfasserin aut Richard Bean verfasserin aut Johan Bielecki verfasserin aut Mario Hilpert verfasserin aut Michele Cascella verfasserin aut Jacques-Philippe Colletier verfasserin aut Hans Fangohr verfasserin aut Lutz Foucar verfasserin aut Elisabeth Hartmann verfasserin aut Mark S. Hunter verfasserin aut Henry Kirkwood verfasserin aut Marco Kloos verfasserin aut Romain Letrun verfasserin aut Thomas Michelat verfasserin aut Robert L. Shoeman verfasserin aut Jolanta Sztuk-Dambietz verfasserin aut Guillaume Tetreau verfasserin aut Herbert Zimmermann verfasserin aut Adrian P. Mancuso verfasserin aut Thomas R.M. Barends verfasserin aut R. Bruce Doak verfasserin aut Claudiu Andrei Stan verfasserin aut Ilme Schlichting verfasserin aut In Crystals MDPI AG, 2011 10(2020), 12, p 1145 (DE-627)718303067 (DE-600)2661516-2 20734352 nnns volume:10 year:2020 number:12, p 1145 https://doi.org/10.3390/cryst10121145 kostenfrei https://doaj.org/article/fd9e1d338b5347578e33696daddf4656 kostenfrei https://www.mdpi.com/2073-4352/10/12/1145 kostenfrei https://doaj.org/toc/2073-4352 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ 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_602 GBV_ILN_2014 GBV_ILN_2055 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 10 2020 12, p 1145
language	English
source	In Crystals 10(2020), 12, p 1145 volume:10 year:2020 number:12, p 1145
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authorswithroles_txt_mv	Alexander Gorel @@aut@@ Marie Luise Grünbein @@aut@@ Richard Bean @@aut@@ Johan Bielecki @@aut@@ Mario Hilpert @@aut@@ Michele Cascella @@aut@@ Jacques-Philippe Colletier @@aut@@ Hans Fangohr @@aut@@ Lutz Foucar @@aut@@ Elisabeth Hartmann @@aut@@ Mark S. Hunter @@aut@@ Henry Kirkwood @@aut@@ Marco Kloos @@aut@@ Romain Letrun @@aut@@ Thomas Michelat @@aut@@ Robert L. Shoeman @@aut@@ Jolanta Sztuk-Dambietz @@aut@@ Guillaume Tetreau @@aut@@ Herbert Zimmermann @@aut@@ Adrian P. Mancuso @@aut@@ Thomas R.M. Barends @@aut@@ R. Bruce Doak @@aut@@ Claudiu Andrei Stan @@aut@@ Ilme Schlichting @@aut@@
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author	Alexander Gorel
spellingShingle	Alexander Gorel misc QD901-999 misc X-ray free-electron laser misc serial femtosecond crystallography misc shock wave misc protein crystallography misc Crystallography Shock Damage Analysis in Serial Femtosecond Crystallography Data Collected at MHz X-ray Free-Electron Lasers
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topic_title	QD901-999 Shock Damage Analysis in Serial Femtosecond Crystallography Data Collected at MHz X-ray Free-Electron Lasers X-ray free-electron laser serial femtosecond crystallography shock wave protein crystallography
topic	misc QD901-999 misc X-ray free-electron laser misc serial femtosecond crystallography misc shock wave misc protein crystallography misc Crystallography
topic_unstemmed	misc QD901-999 misc X-ray free-electron laser misc serial femtosecond crystallography misc shock wave misc protein crystallography misc Crystallography
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title	Shock Damage Analysis in Serial Femtosecond Crystallography Data Collected at MHz X-ray Free-Electron Lasers
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title_full	Shock Damage Analysis in Serial Femtosecond Crystallography Data Collected at MHz X-ray Free-Electron Lasers
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author_browse	Alexander Gorel Marie Luise Grünbein Richard Bean Johan Bielecki Mario Hilpert Michele Cascella Jacques-Philippe Colletier Hans Fangohr Lutz Foucar Elisabeth Hartmann Mark S. Hunter Henry Kirkwood Marco Kloos Romain Letrun Thomas Michelat Robert L. Shoeman Jolanta Sztuk-Dambietz Guillaume Tetreau Herbert Zimmermann Adrian P. Mancuso Thomas R.M. Barends R. Bruce Doak Claudiu Andrei Stan Ilme Schlichting
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title_sort	shock damage analysis in serial femtosecond crystallography data collected at mhz x-ray free-electron lasers
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title_auth	Shock Damage Analysis in Serial Femtosecond Crystallography Data Collected at MHz X-ray Free-Electron Lasers
abstract	Serial femtosecond crystallography (SFX) data were recorded at the European X-ray free-electron laser facility (EuXFEL) with protein microcrystals delivered via a microscopic liquid jet. An XFEL beam striking such a jet may launch supersonic shock waves up the jet, compromising the oncoming sample. To investigate this efficiently, we employed a novel XFEL pulse pattern to nominally expose the sample to between zero and four shock waves before being probed. Analyzing hit rate, indexing rate, and resolution for diffraction data recorded at MHz pulse rates, we found no evidence of damage. Notably, however, this conclusion could only be drawn after careful identification and assimilation of numerous interrelated experimental factors, which we describe in detail. Failure to do so would have led to an erroneous conclusion. Femtosecond photography of the sample-carrying jet revealed critically different jet behavior from that of all homogeneous liquid jets studied to date in this manner.
abstractGer	Serial femtosecond crystallography (SFX) data were recorded at the European X-ray free-electron laser facility (EuXFEL) with protein microcrystals delivered via a microscopic liquid jet. An XFEL beam striking such a jet may launch supersonic shock waves up the jet, compromising the oncoming sample. To investigate this efficiently, we employed a novel XFEL pulse pattern to nominally expose the sample to between zero and four shock waves before being probed. Analyzing hit rate, indexing rate, and resolution for diffraction data recorded at MHz pulse rates, we found no evidence of damage. Notably, however, this conclusion could only be drawn after careful identification and assimilation of numerous interrelated experimental factors, which we describe in detail. Failure to do so would have led to an erroneous conclusion. Femtosecond photography of the sample-carrying jet revealed critically different jet behavior from that of all homogeneous liquid jets studied to date in this manner.
abstract_unstemmed	Serial femtosecond crystallography (SFX) data were recorded at the European X-ray free-electron laser facility (EuXFEL) with protein microcrystals delivered via a microscopic liquid jet. An XFEL beam striking such a jet may launch supersonic shock waves up the jet, compromising the oncoming sample. To investigate this efficiently, we employed a novel XFEL pulse pattern to nominally expose the sample to between zero and four shock waves before being probed. Analyzing hit rate, indexing rate, and resolution for diffraction data recorded at MHz pulse rates, we found no evidence of damage. Notably, however, this conclusion could only be drawn after careful identification and assimilation of numerous interrelated experimental factors, which we describe in detail. Failure to do so would have led to an erroneous conclusion. Femtosecond photography of the sample-carrying jet revealed critically different jet behavior from that of all homogeneous liquid jets studied to date in this manner.
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container_issue	12, p 1145
title_short	Shock Damage Analysis in Serial Femtosecond Crystallography Data Collected at MHz X-ray Free-Electron Lasers
url	https://doi.org/10.3390/cryst10121145 https://doaj.org/article/fd9e1d338b5347578e33696daddf4656 https://www.mdpi.com/2073-4352/10/12/1145 https://doaj.org/toc/2073-4352
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author2	Marie Luise Grünbein Richard Bean Johan Bielecki Mario Hilpert Michele Cascella Jacques-Philippe Colletier Hans Fangohr Lutz Foucar Elisabeth Hartmann Mark S. Hunter Henry Kirkwood Marco Kloos Romain Letrun Thomas Michelat Robert L. Shoeman Jolanta Sztuk-Dambietz Guillaume Tetreau Herbert Zimmermann Adrian P. Mancuso Thomas R.M. Barends R. Bruce Doak Claudiu Andrei Stan Ilme Schlichting
author2Str	Marie Luise Grünbein Richard Bean Johan Bielecki Mario Hilpert Michele Cascella Jacques-Philippe Colletier Hans Fangohr Lutz Foucar Elisabeth Hartmann Mark S. Hunter Henry Kirkwood Marco Kloos Romain Letrun Thomas Michelat Robert L. Shoeman Jolanta Sztuk-Dambietz Guillaume Tetreau Herbert Zimmermann Adrian P. Mancuso Thomas R.M. Barends R. Bruce Doak Claudiu Andrei Stan Ilme Schlichting
ppnlink	718303067
callnumber-subject	QD - Chemistry
mediatype_str_mv	c
isOA_txt	true
hochschulschrift_bool	false
doi_str	10.3390/cryst10121145
callnumber-a	QD901-999
up_date	2024-07-03T20:44:12.322Z
_version_	1803592088760090624
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Shock Damage Analysis in Serial Femtosecond Crystallography Data Collected at MHz X-ray Free-Electron Lasers

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