Megahertz serial crystallography
Wiedorn, Max O.; Oberthür, Dominik; Bean, Richard; Schubert, Robin; Werner, Nadine; Abbey, Brian; Aepfelbacher, Martin; Adriano, Luigi; Allahgholi, Aschkan; Al-Qudami, Nasser; Andreasson, Jakob; Aplin, Steve; Awel, Salah; Ayyer, Kartik; Bajt, Saša; Barák, Imrich; Bari, Sadia; Bielecki, Johan; Botha, Sabine; Boukhelef, Djelloul; Brehm, Wolfgang; Brockhauser, Sandor; Cheviakov, Igor; Coleman, Matthew A.; Cruz-Mazo, Francisco; Danilevski, Cyril; Darmanin, Connie; Doak, R. Bruce; Domaracky, Martin; Dörner, Katerina; Du, Yang; Fangohr, Hans; Fleckenstein, Holger; Frank, Matthias; Fromme, Petra; Gañán-Calvo, Alfonso M.; Gevorkov, Yaroslav; Giewekemeyer, Klaus; Ginn, Helen Mary; Graafsma, Heinz; Graceffa, Rita; Greiffenberg, Dominic; Gumprecht, Lars; Göttlicher, Peter; Hajdu, Janos; Hauf, Steffen; Heymann, Michael; Holmes, Susannah; Horke, Daniel A.; Hunter, Mark S.; Imlau, Siegfried; Kaukher, Alexander; Kim, Yoonhee; Klyuev, Alexander; Knoška, Juraj; Kobe, Bostjan; Kuhn, Manuela; Kupitz, Christopher; Küpper, Jochen; Lahey-Rudolph, Janine Mia; Laurus, Torsten; Le Cong, Karoline; Letrun, Romain; Xavier, P. Lourdu; Maia, Luis; Maia, Filipe R. N. C.; Mariani, Valerio; Messerschmidt, Marc; Metz, Markus; Mezza, Davide; Michelat, Thomas; Mills, Grant; Monteiro, Diana C. F.; Morgan, Andrew; Mühlig, Kerstin; Munke, Anna; Münnich, Astrid; Nette, Julia; Nugent, Keith A.; Nuguid, Theresa; Orville, Allen M.; Pandey, Suraj; Pena, Gisel; Villanueva-Perez, Pablo; Poehlsen, Jennifer; Previtali, Gianpietro; Redecke, Lars; Riekehr, Winnie Maria; Rohde, Holger; Round, Adam; Safenreiter, Tatiana; Sarrou, Iosifina; Sato, Tokushi; Schmidt, Marius; Schmitt, Bernd; Schönherr, Robert; Schulz, Joachim; Sellberg, Jonas A.; Seibert, M. Marvin; Seuring, Carolin; Shelby, Megan L.; Shoeman, Robert L.; Sikorski, Marcin; Silenzi, Alessandro; Stan, Claudiu A.; Shi, Xintian; Stern, Stephan; Sztuk-Dambietz, Jola; Szuba, Janusz; Tolstikova, Aleksandra; Trebbin, Martin; Trunk, Ulrich; Vagovic, Patrik; Ve, Thomas; Weinhausen, Britta; White, Thomas A.; Wrona, Krzysztof; Xu, Chen; Yefanov, Oleksandr; Zatsepin, Nadia; Zhang, Jiaguo; Perbandt, Markus; Mancuso, Adrian P.; Betzel, Christian; Chapman, Henry; Barty, Anton
2018
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Abstract
The new European X-ray Free-Electron Laser is the first X-ray free-electron laser capable of delivering X-ray pulses with a megahertz inter-pulse spacing, more than four orders of magnitude higher than previously possible. However, to date, it has been unclear whether it would indeed be possible to measure high-quality diffraction data at megahertz pulse repetition rates. Here, we show that high-quality structures can indeed be obtained using currently available operating conditions at the European XFEL. We present two complete data sets, one from the well-known model system lysozyme and the other from a so far unknown complex of a β-lactamase from K. pneumoniae involved in antibiotic resistance. This result opens up megahertz serial femtosecond crystallography (SFX) as a tool for reliable structure determination, substrate screening and the efficient measurement of the evolution and dynamics of molecular structures using megahertz repetition rate pulses available at this new class of X-ray laser source.
Details
Title
Megahertz serial crystallography
Author
Wiedorn, Max O.
Oberthür, Dominik
Bean, Richard
Schubert, Robin
Werner, Nadine
Abbey, Brian
Aepfelbacher, Martin
Adriano, Luigi
Allahgholi, Aschkan
Al-Qudami, Nasser
Andreasson, Jakob
Aplin, Steve
Awel, Salah
Ayyer, Kartik
Bajt, Saša
Barák, Imrich
Bari, Sadia
Bielecki, Johan
Botha, Sabine
Boukhelef, Djelloul
Brehm, Wolfgang
Brockhauser, Sandor
Cheviakov, Igor
Coleman, Matthew A.
Cruz-Mazo, Francisco
Danilevski, Cyril
Darmanin, Connie
Doak, R. Bruce
Domaracky, Martin
Dörner, Katerina
Du, Yang
Fangohr, Hans
Fleckenstein, Holger
Frank, Matthias
Fromme, Petra
Gañán-Calvo, Alfonso M.
Gevorkov, Yaroslav
Giewekemeyer, Klaus
Ginn, Helen Mary
Graafsma, Heinz
Graceffa, Rita
Greiffenberg, Dominic
Gumprecht, Lars
Göttlicher, Peter
Hajdu, Janos
Hauf, Steffen
Heymann, Michael
Holmes, Susannah
Horke, Daniel A.
Hunter, Mark S.
Imlau, Siegfried
Kaukher, Alexander
Kim, Yoonhee
Klyuev, Alexander
Knoška, Juraj
Kobe, Bostjan
Kuhn, Manuela
Kupitz, Christopher
Küpper, Jochen
Lahey-Rudolph, Janine Mia
Laurus, Torsten
Le Cong, Karoline
Letrun, Romain
Xavier, P. Lourdu
Maia, Luis
Maia, Filipe R. N. C.
Mariani, Valerio
Messerschmidt, Marc
Metz, Markus
Mezza, Davide
Michelat, Thomas
Mills, Grant
Monteiro, Diana C. F.
Morgan, Andrew
Mühlig, Kerstin
Munke, Anna
Münnich, Astrid
Nette, Julia
Nugent, Keith A.
Nuguid, Theresa
Orville, Allen M.
Pandey, Suraj
Pena, Gisel
Villanueva-Perez, Pablo
Poehlsen, Jennifer
Previtali, Gianpietro
Redecke, Lars
Riekehr, Winnie Maria
Rohde, Holger
Round, Adam
Safenreiter, Tatiana
Sarrou, Iosifina
Sato, Tokushi
Schmidt, Marius
Schmitt, Bernd
Schönherr, Robert
Schulz, Joachim
Sellberg, Jonas A.
Seibert, M. Marvin
Seuring, Carolin
Shelby, Megan L.
Shoeman, Robert L.
Sikorski, Marcin
Silenzi, Alessandro
Stan, Claudiu A.
Shi, Xintian
Stern, Stephan
Sztuk-Dambietz, Jola
Szuba, Janusz
Tolstikova, Aleksandra
Trebbin, Martin
Trunk, Ulrich
Vagovic, Patrik
Ve, Thomas
Weinhausen, Britta
White, Thomas A.
Wrona, Krzysztof
Xu, Chen
Yefanov, Oleksandr
Zatsepin, Nadia
Zhang, Jiaguo
Perbandt, Markus
Mancuso, Adrian P.
Betzel, Christian
Chapman, Henry
Barty, Anton
Oberthür, Dominik
Bean, Richard
Schubert, Robin
Werner, Nadine
Abbey, Brian
Aepfelbacher, Martin
Adriano, Luigi
Allahgholi, Aschkan
Al-Qudami, Nasser
Andreasson, Jakob
Aplin, Steve
Awel, Salah
Ayyer, Kartik
Bajt, Saša
Barák, Imrich
Bari, Sadia
Bielecki, Johan
Botha, Sabine
Boukhelef, Djelloul
Brehm, Wolfgang
Brockhauser, Sandor
Cheviakov, Igor
Coleman, Matthew A.
Cruz-Mazo, Francisco
Danilevski, Cyril
Darmanin, Connie
Doak, R. Bruce
Domaracky, Martin
Dörner, Katerina
Du, Yang
Fangohr, Hans
Fleckenstein, Holger
Frank, Matthias
Fromme, Petra
Gañán-Calvo, Alfonso M.
Gevorkov, Yaroslav
Giewekemeyer, Klaus
Ginn, Helen Mary
Graafsma, Heinz
Graceffa, Rita
Greiffenberg, Dominic
Gumprecht, Lars
Göttlicher, Peter
Hajdu, Janos
Hauf, Steffen
Heymann, Michael
Holmes, Susannah
Horke, Daniel A.
Hunter, Mark S.
Imlau, Siegfried
Kaukher, Alexander
Kim, Yoonhee
Klyuev, Alexander
Knoška, Juraj
Kobe, Bostjan
Kuhn, Manuela
Kupitz, Christopher
Küpper, Jochen
Lahey-Rudolph, Janine Mia
Laurus, Torsten
Le Cong, Karoline
Letrun, Romain
Xavier, P. Lourdu
Maia, Luis
Maia, Filipe R. N. C.
Mariani, Valerio
Messerschmidt, Marc
Metz, Markus
Mezza, Davide
Michelat, Thomas
Mills, Grant
Monteiro, Diana C. F.
Morgan, Andrew
Mühlig, Kerstin
Munke, Anna
Münnich, Astrid
Nette, Julia
Nugent, Keith A.
Nuguid, Theresa
Orville, Allen M.
Pandey, Suraj
Pena, Gisel
Villanueva-Perez, Pablo
Poehlsen, Jennifer
Previtali, Gianpietro
Redecke, Lars
Riekehr, Winnie Maria
Rohde, Holger
Round, Adam
Safenreiter, Tatiana
Sarrou, Iosifina
Sato, Tokushi
Schmidt, Marius
Schmitt, Bernd
Schönherr, Robert
Schulz, Joachim
Sellberg, Jonas A.
Seibert, M. Marvin
Seuring, Carolin
Shelby, Megan L.
Shoeman, Robert L.
Sikorski, Marcin
Silenzi, Alessandro
Stan, Claudiu A.
Shi, Xintian
Stern, Stephan
Sztuk-Dambietz, Jola
Szuba, Janusz
Tolstikova, Aleksandra
Trebbin, Martin
Trunk, Ulrich
Vagovic, Patrik
Ve, Thomas
Weinhausen, Britta
White, Thomas A.
Wrona, Krzysztof
Xu, Chen
Yefanov, Oleksandr
Zatsepin, Nadia
Zhang, Jiaguo
Perbandt, Markus
Mancuso, Adrian P.
Betzel, Christian
Chapman, Henry
Barty, Anton
Affiliation
EuXFEL staff, EuXFEL user
Author Group
Control and Analysis Software
Detector Development
IT and Data Management
Sample Environment
Instrument SPB/SFX
Detector Development
IT and Data Management
Sample Environment
Instrument SPB/SFX
Topic
Scientific Area
Imprint
2018, Nature
Date
2018
Publication Information
Nature Communications, 9 (1), 4025 (2018)
Related external records
DOI: https://doi.org/10.1038/s41467-018-06156-7
Related dataset
DOI: https://doi.org/10.22003/XFEL.EU-DATA-002012-00
Related proposal number
2012
Content Type
Articles
Language
English
Funding Information
We acknowledge the support of funding from: The excellence cluster "The Hamburg Center for Ultrafast Imaging–Structure, Dynamics and Control of Matter at the Atomic Scale" of the Deutsche Forschungsgemeinschaft (CUI, DFG-EXC1074); the European Research Council, “Frontiers in Attosecond X-ray Science: Imaging and Spectroscopy (AXSIS)”, ERC-2013-SyG 609920 (2014-2018); the Gottfried Wilhelm Leibniz Program of the DFG; the project “X-probe” funded by the European Union’s 2020 Research and Innovation Program under the Marie Sklodowska-Curie grant agreement 637295; the BMBF German-Russian Cooperation “SyncFELMed” grant 05K14CHA; European Research Council under the European Union’s Seventh Framework Programme (FP7/2007-2013) through the Consolidator Grant COMOTION (ERC-614507-Küpper); the Helmholtz Gemeinschaft through the "Impuls und Vernetzungsfond"; Helmholtz Initiative and Networking Fund through the Young Investigators Program and by the Deutsche Forschungsgemeinschaft SFB755/B03; the DLR (Deutsche Zentrum für Luft und Raumfahrt) via project 50WB142, the Swedish Research Council; the Knut and Alice Wallenberg Foundation; the Röntgen-Angström Cluster; the BMBF via projects 05K13GU7 and 05E13GU1; from Ministry of Education, Science, Research and Sport of the Slovak Republic; the Joachim Herz Stiftung; the Deutsche Forschungsgemeinschaft (DFG) Cluster of Excellence “Inflammation at interfaces” (EXC 306); the Swedish Research Council; the Swedish Foundation for Strategic Research; the Australian Research Council Center of Excellence in Advanced Molecular Imaging (CE140100011); the Australian Nuclear Science and Technology Organisation (ANSTO); the International Synchrotron Access Program (ISAP) managed by the Australian Synchrotron, part of ANSTO, and funded by the Australian Government; The projects Structural dynamics of biomolecular systems (CZ.02.1.01/0.0/0.0/15_003/0000447) (ELIBIO) and Advanced research using high-intensity laser produced photons and particles (CZ.02.1.01/0.0/0.0/16_019/0000789) (ADONIS) from European Regional Development Fund, the Ministry of Education, Youth and Sports as part of targeted support from the National Programme of Sustainability II; the Röntgen- Ångström-Cluster; the Chalmers Area of Advance, Material science; the Project DPI2016-78887-C3-1-R, Ministerio de Economía y Competitividad; the Wellcome Trust (studentship 075491/04); Rutgers University, Newark; the Max Planck Society; the NSF-STC “BioXFEL” through award STC-1231306; the Slovak Research and Development Agency under contract APVV-14-0181; the Wellcome Trust; Helmholtz Strategic Investment funds; Australian Research Council Centre of Excellence in Advanced Molecular Imaging (CE140100011), Australian Nuclear Science and Technology Organisation (ANSTO); The Swedish Research Council, the Knut and Alice Wallenberg Foundation, and the Röntgen-Angström Cluster, Ministry of Education, Science, Research and Sport of the Slovak Republic; BMBF grants 05K16GUA and 05K12GU3; the Joachim Herz Foundation through and Add-on Fellowship; NHMRC project grants 1107804 and 1108859, ARC Discovery Early Career Research Award (DE170100783); National Health and Medical Research Council (NHMRC) project grants 1107804, 1071659, 1071659 and Principal Research Fellowship (1110971). ARC Discovery Early Career Research Award (DE170100783); National Science Foundation Grant # 1565180, "ABI Innovation: New Algorithms for Biological X-ray Free Electron Laser Data"; Diamond Light Source and from a Strategic Award from the Wellcome Trust and the Biotechnology and Biological Sciences Research Council (grant 102593); use of the XBI biological sample preparation laboratory, enabled by the XBI User Consortium. This work was performed, in part, under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. M.L.S., M.A.C. and M.F. were supported by the NIH grant 1R01GM117342-01.
External Website
https://www.nature.com/articles/s41467-018-06156-7
Record Appears in
Groups > Detectors and data acquisition > Control and Analysis Software (CAS)
Groups > Detectors and data acquisition > IT and Data Management (ITDM)
Groups > Scientific instruments and equipment > Sample Environment
Groups > Detectors and data acquisition > Detector Development
Topics > XFEL.EU experiments
Instruments > SPB/SFX
Beamlines > SASE1
Types > Articles
Years > 2018
Groups > Detectors and data acquisition > IT and Data Management (ITDM)
Groups > Scientific instruments and equipment > Sample Environment
Groups > Detectors and data acquisition > Detector Development
Topics > XFEL.EU experiments
Instruments > SPB/SFX
Beamlines > SASE1
Types > Articles
Years > 2018