Megahertz serial crystallography

Max O. Wiedorn; Dominik Oberthür; Richard Bean; Robin Schubert; Nadine Werner; Brian Abbey; Martin Aepfelbacher; Luigi Adriano; Aschkan Allahgholi; Nasser Al-Qudami; Jakob Andreasson; Steve Aplin; Salah Awel; Kartik Ayyer; Saša Bajt; Imrich Barák; Sadia Bari; Johan Bielecki; Sabine Botha; Djelloul Boukhelef; Wolfgang Brehm; Sandor Brockhauser; Igor Cheviakov; Matthew A. Coleman; Francisco Cruz-Mazo; Cyril Danilevski; Connie Darmanin; R. Bruce Doak; Martin Domaracky; Katerina Dörner; Yang Du; Hans Fangohr; Holger Fleckenstein; Matthias Frank; Petra Fromme; Alfonso M. Gañán-Calvo; Yaroslav Gevorkov; Klaus Giewekemeyer; Helen Mary Ginn; Heinz Graafsma; Rita Graceffa; Dominic Greiffenberg; Lars Gumprecht; Peter Göttlicher; Janos Hajdu; Steffen Hauf; Michael Heymann; Susannah Holmes; Daniel A. Horke; Mark S. Hunter; Siegfried Imlau; Alexander Kaukher; Yoonhee Kim; Alexander Klyuev; Juraj Knoška; Bostjan Kobe; Manuela Kuhn; Christopher Kupitz; Jochen Küpper; Janine Mia Lahey-Rudolph; Torsten Laurus; Karoline Le Cong; Romain Letrun; P. Lourdu Xavier; Luis Maia; Filipe R.N.C. Maia; Valerio Mariani; Marc Messerschmidt; Markus Metz; Davide Mezza; Thomas Michelat; Grant Mills; Diana C.F. Monteiro; Andrew Morgan; Kerstin Mühlig; Anna Munke; Astrid Münnich; Julia Nette; Keith A. Nugent; Theresa Nuguid; Allen M. Orville; Suraj Pandey; Gisel Pena; Pablo Villanueva-Perez; Jennifer Poehlsen; Gianpietro Previtali; Lars Redecke; Winnie Maria Riekehr; Holger Rohde; Adam Round; Tatiana Safenreiter; Iosifina Sarrou; Tokushi Sato; Marius Schmidt; Bernd Schmitt; Robert Schönherr; Joachim Schulz; Jonas A. Sellberg; M. Marvin Seibert; Carolin Seuring; Megan L. Shelby; Robert L. Shoeman; Marcin Sikorski; Alessandro Silenzi; Claudiu A. Stan; Xintian Shi; Stephan Stern; Jola Sztuk-Dambietz; Janusz Szuba; Aleksandra Tolstikova; Martin Trebbin; Ulrich Trunk; Patrik Vagovic; Thomas Ve; Britta Weinhausen; Thomas A. White; Krzysztof Wrona; Chen Xu; Oleksandr Yefanov; Nadia Zatsepin; Jiaguo Zhang; Markus Perbandt; Adrian P. Mancuso; Christian Betzel; Henry Chapman; Anton Barty

doi:10.1038/s41467-018-06156-7

Megahertz serial crystallography

Max O. Wiedorn, Dominik Oberthür, Richard Bean, Robin Schubert, Nadine Werner, Brian Abbey, Martin Aepfelbacher, Luigi Adriano, Aschkan Allahgholi, Nasser Al-Qudami, Jakob Andreasson, Steve Aplin, Salah Awel, Kartik Ayyer, Saša Bajt, Imrich Barák, Sadia Bari, Johan Bielecki, Sabine Botha, Djelloul BoukhelefWolfgang Brehm, Sandor Brockhauser, Igor Cheviakov, Matthew A. Coleman, Francisco Cruz-Mazo, Cyril Danilevski, Connie Darmanin, R. Bruce Doak, Martin Domaracky, Katerina Dörner, Yang Du, Hans Fangohr, Holger Fleckenstein, Matthias Frank, Petra Fromme, Alfonso M. Gañán-Calvo, Yaroslav Gevorkov, Klaus Giewekemeyer, Helen Mary Ginn, Heinz Graafsma, Rita Graceffa, Dominic Greiffenberg, Lars Gumprecht, Peter Göttlicher, Janos Hajdu, Steffen Hauf, Michael Heymann, Susannah Holmes, Daniel A. Horke, Mark S. Hunter, Siegfried Imlau, Alexander Kaukher, Yoonhee Kim, Alexander Klyuev, Juraj Knoška, Bostjan Kobe, Manuela Kuhn, Christopher Kupitz, Jochen Küpper, Janine Mia Lahey-Rudolph, Torsten Laurus, Karoline Le Cong, Romain Letrun, P. Lourdu Xavier, Luis Maia, Filipe R.N.C. Maia, Valerio Mariani, Marc Messerschmidt, Markus Metz, Davide Mezza, Thomas Michelat, Grant Mills, Diana C.F. Monteiro, Andrew Morgan, Kerstin Mühlig, Anna Munke, Astrid Münnich, Julia Nette, Keith A. Nugent, Theresa Nuguid, Allen M. Orville, Suraj Pandey, Gisel Pena, Pablo Villanueva-Perez, Jennifer Poehlsen, Gianpietro Previtali, Lars Redecke, Winnie Maria Riekehr, Holger Rohde, Adam Round, Tatiana Safenreiter, Iosifina Sarrou, Tokushi Sato, Marius Schmidt, Bernd Schmitt, Robert Schönherr, Joachim Schulz, Jonas A. Sellberg, M. Marvin Seibert, Carolin Seuring, Megan L. Shelby, Robert L. Shoeman, Marcin Sikorski, Alessandro Silenzi, Claudiu A. Stan, Xintian Shi, Stephan Stern, Jola Sztuk-Dambietz, Janusz Szuba, Aleksandra Tolstikova, Martin Trebbin, Ulrich Trunk, Patrik Vagovic, Thomas Ve, Britta Weinhausen, Thomas A. White, Krzysztof Wrona, Chen Xu, Oleksandr Yefanov, Nadia Zatsepin, Jiaguo Zhang, Markus Perbandt, Adrian P. Mancuso, Christian Betzel, Henry Chapman, Anton Barty

Research output: Contribution to journal › Article › peer-review

121 Scopus citations

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.

Original language	English (US)
Article number	4025
Journal	Nature communications
Volume	9
Issue number	1
DOIs	https://doi.org/10.1038/s41467-018-06156-7
State	Published - Dec 1 2018

ASJC Scopus subject areas

Chemistry(all)
Biochemistry, Genetics and Molecular Biology(all)
Physics and Astronomy(all)

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10.1038/s41467-018-06156-7

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Wiedorn, M. O., Oberthür, D., Bean, R., Schubert, R., Werner, N., Abbey, B., Aepfelbacher, M., Adriano, L., Allahgholi, A., Al-Qudami, N., Andreasson, J., Aplin, S., Awel, S., Ayyer, K., Bajt, S., Barák, I., Bari, S., Bielecki, J., Botha, S., ... Barty, A. (2018). Megahertz serial crystallography. Nature communications, 9(1), [4025]. https://doi.org/10.1038/s41467-018-06156-7

Wiedorn, MO, Oberthür, D, Bean, R, Schubert, R, Werner, N, Abbey, B, Aepfelbacher, M, Adriano, L, Allahgholi, A, Al-Qudami, N, Andreasson, J, Aplin, S, Awel, S, Ayyer, K, Bajt, S, Barák, I, Bari, S, Bielecki, J, Botha, S, Boukhelef, D, Brehm, W, Brockhauser, S, Cheviakov, I, Coleman, MA, Cruz-Mazo, F, Danilevski, C, Darmanin, C, Doak, RB, Domaracky, M, Dörner, K, Du, Y, Fangohr, H, Fleckenstein, H, Frank, M, Fromme, P, Gañán-Calvo, AM, Gevorkov, Y, Giewekemeyer, K, Ginn, HM, Graafsma, H, Graceffa, R, Greiffenberg, D, Gumprecht, L, Göttlicher, P, Hajdu, J, Hauf, S, Heymann, M, Holmes, S, Horke, DA, Hunter, MS, Imlau, S, Kaukher, A, Kim, Y, Klyuev, A, Knoška, J, Kobe, B, Kuhn, M, Kupitz, C, Küpper, J, Lahey-Rudolph, JM, Laurus, T, Le Cong, K, Letrun, R, Xavier, PL, Maia, L, Maia, FRNC, Mariani, V, Messerschmidt, M, Metz, M, Mezza, D, Michelat, T, Mills, G, Monteiro, DCF, Morgan, A, Mühlig, K, Munke, A, Münnich, A, Nette, J, Nugent, KA, Nuguid, T, Orville, AM, Pandey, S, Pena, G, Villanueva-Perez, P, Poehlsen, J, Previtali, G, Redecke, L, Riekehr, WM, Rohde, H, Round, A, Safenreiter, T, Sarrou, I, Sato, T, Schmidt, M, Schmitt, B, Schönherr, R, Schulz, J, Sellberg, JA, Seibert, MM, Seuring, C, Shelby, ML, Shoeman, RL, Sikorski, M, Silenzi, A, Stan, CA, Shi, X, Stern, S, Sztuk-Dambietz, J, Szuba, J, Tolstikova, A, Trebbin, M, Trunk, U, Vagovic, P, Ve, T, Weinhausen, B, White, TA, Wrona, K, Xu, C, Yefanov, O, Zatsepin, N, Zhang, J, Perbandt, M, Mancuso, AP, Betzel, C, Chapman, H & Barty, A 2018, 'Megahertz serial crystallography', Nature communications, vol. 9, no. 1, 4025. https://doi.org/10.1038/s41467-018-06156-7

@article{6603274a9a834685a7aa0c5568241a74,

title = "Megahertz serial crystallography",

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.",

author = "Wiedorn, {Max O.} and Dominik Oberth{\"u}r and Richard Bean and Robin Schubert and Nadine Werner and Brian Abbey and Martin Aepfelbacher and Luigi Adriano and Aschkan Allahgholi and Nasser Al-Qudami and Jakob Andreasson and Steve Aplin and Salah Awel and Kartik Ayyer and Sa{\v s}a Bajt and Imrich Bar{\'a}k and Sadia Bari and Johan Bielecki and Sabine Botha and Djelloul Boukhelef and Wolfgang Brehm and Sandor Brockhauser and Igor Cheviakov and Coleman, {Matthew A.} and Francisco Cruz-Mazo and Cyril Danilevski and Connie Darmanin and Doak, {R. Bruce} and Martin Domaracky and Katerina D{\"o}rner and Yang Du and Hans Fangohr and Holger Fleckenstein and Matthias Frank and Petra Fromme and Ga{\~n}{\'a}n-Calvo, {Alfonso M.} and Yaroslav Gevorkov and Klaus Giewekemeyer and Ginn, {Helen Mary} and Heinz Graafsma and Rita Graceffa and Dominic Greiffenberg and Lars Gumprecht and Peter G{\"o}ttlicher and Janos Hajdu and Steffen Hauf and Michael Heymann and Susannah Holmes and Horke, {Daniel A.} and Hunter, {Mark S.} and Siegfried Imlau and Alexander Kaukher and Yoonhee Kim and Alexander Klyuev and Juraj Kno{\v s}ka and Bostjan Kobe and Manuela Kuhn and Christopher Kupitz and Jochen K{\"u}pper and Lahey-Rudolph, {Janine Mia} and Torsten Laurus and {Le Cong}, Karoline and Romain Letrun and Xavier, {P. Lourdu} and Luis Maia and Maia, {Filipe R.N.C.} and Valerio Mariani and Marc Messerschmidt and Markus Metz and Davide Mezza and Thomas Michelat and Grant Mills and Monteiro, {Diana C.F.} and Andrew Morgan and Kerstin M{\"u}hlig and Anna Munke and Astrid M{\"u}nnich and Julia Nette and Nugent, {Keith A.} and Theresa Nuguid and Orville, {Allen M.} and Suraj Pandey and Gisel Pena and Pablo Villanueva-Perez and Jennifer Poehlsen and Gianpietro Previtali and Lars Redecke and Riekehr, {Winnie Maria} and Holger Rohde and Adam Round and Tatiana Safenreiter and Iosifina Sarrou and Tokushi Sato and Marius Schmidt and Bernd Schmitt and Robert Sch{\"o}nherr and Joachim Schulz and Sellberg, {Jonas A.} and Seibert, {M. Marvin} and Carolin Seuring and Shelby, {Megan L.} and Shoeman, {Robert L.} and Marcin Sikorski and Alessandro Silenzi and Stan, {Claudiu A.} and Xintian Shi and Stephan Stern and Jola Sztuk-Dambietz and Janusz Szuba and Aleksandra Tolstikova and Martin Trebbin and Ulrich Trunk and Patrik Vagovic and Thomas Ve and Britta Weinhausen and White, {Thomas A.} and Krzysztof Wrona and Chen Xu and Oleksandr Yefanov and Nadia Zatsepin and Jiaguo Zhang and Markus Perbandt and Mancuso, {Adrian P.} and Christian Betzel and Henry Chapman and Anton Barty",

note = "Funding Information: We acknowledge European XFEL in Schenefeld, Germany, for provision of X-ray free-electron laser beamtime at Scientific Instrument SPB/SFX and would like to thank the instrument group and facility staff for their assistance. We also acknowledge useful discussions with John Spence, ASU; Arwen Pearson, UHH; and Ilme Schlichting, MPI-MF. 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{\textquoteright}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{\textquoteright}s Seventh Framework Programme (FP7/ 2007-2013) through the Consolidator Grant COMOTION (ERC-614507-K{\"u}pper); 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 f{\"u}r Luft und Raum-fahrt) via project 50WB142, the Swedish Research Council; the Knut and Alice Wallen-berg Foundation; the R{\"o}ntgen-Angstr{\"o}m 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 R{\"o}ntgen-{\AA}ngstr{\"o}m-Cluster; the Chalmers Area of Advance, Material science; the Project DPI2016-78887-C3-1-R, Ministerio de Econom{\'i}a 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 R{\"o}ntgen-Angstr{\"o}m 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. Publisher Copyright: {\textcopyright} 2018, The Author(s).",

year = "2018",

month = dec,

day = "1",

doi = "10.1038/s41467-018-06156-7",

language = "English (US)",

volume = "9",

journal = "Nature Communications",

issn = "2041-1723",

publisher = "Nature Publishing Group",

number = "1",

}

TY - JOUR

T1 - Megahertz serial crystallography

AU - Wiedorn, Max O.

AU - Oberthür, Dominik

AU - Bean, Richard

AU - Schubert, Robin

AU - Werner, Nadine

AU - Abbey, Brian

AU - Aepfelbacher, Martin

AU - Adriano, Luigi

AU - Allahgholi, Aschkan

AU - Al-Qudami, Nasser

AU - Andreasson, Jakob

AU - Aplin, Steve

AU - Awel, Salah

AU - Ayyer, Kartik

AU - Bajt, Saša

AU - Barák, Imrich

AU - Bari, Sadia

AU - Bielecki, Johan

AU - Botha, Sabine

AU - Boukhelef, Djelloul

AU - Brehm, Wolfgang

AU - Brockhauser, Sandor

AU - Cheviakov, Igor

AU - Coleman, Matthew A.

AU - Cruz-Mazo, Francisco

AU - Danilevski, Cyril

AU - Darmanin, Connie

AU - Doak, R. Bruce

AU - Domaracky, Martin

AU - Dörner, Katerina

AU - Du, Yang

AU - Fangohr, Hans

AU - Fleckenstein, Holger

AU - Frank, Matthias

AU - Fromme, Petra

AU - Gañán-Calvo, Alfonso M.

AU - Gevorkov, Yaroslav

AU - Giewekemeyer, Klaus

AU - Ginn, Helen Mary

AU - Graafsma, Heinz

AU - Graceffa, Rita

AU - Greiffenberg, Dominic

AU - Gumprecht, Lars

AU - Göttlicher, Peter

AU - Hajdu, Janos

AU - Hauf, Steffen

AU - Heymann, Michael

AU - Holmes, Susannah

AU - Horke, Daniel A.

AU - Hunter, Mark S.

AU - Imlau, Siegfried

AU - Kaukher, Alexander

AU - Kim, Yoonhee

AU - Klyuev, Alexander

AU - Knoška, Juraj

AU - Kobe, Bostjan

AU - Kuhn, Manuela

AU - Kupitz, Christopher

AU - Küpper, Jochen

AU - Lahey-Rudolph, Janine Mia

AU - Laurus, Torsten

AU - Le Cong, Karoline

AU - Letrun, Romain

AU - Xavier, P. Lourdu

AU - Maia, Luis

AU - Maia, Filipe R.N.C.

AU - Mariani, Valerio

AU - Messerschmidt, Marc

AU - Metz, Markus

AU - Mezza, Davide

AU - Michelat, Thomas

AU - Mills, Grant

AU - Monteiro, Diana C.F.

AU - Morgan, Andrew

AU - Mühlig, Kerstin

AU - Munke, Anna

AU - Münnich, Astrid

AU - Nette, Julia

AU - Nugent, Keith A.

AU - Nuguid, Theresa

AU - Orville, Allen M.

AU - Pandey, Suraj

AU - Pena, Gisel

AU - Villanueva-Perez, Pablo

AU - Poehlsen, Jennifer

AU - Previtali, Gianpietro

AU - Redecke, Lars

AU - Riekehr, Winnie Maria

AU - Rohde, Holger

AU - Round, Adam

AU - Safenreiter, Tatiana

AU - Sarrou, Iosifina

AU - Sato, Tokushi

AU - Schmidt, Marius

AU - Schmitt, Bernd

AU - Schönherr, Robert

AU - Schulz, Joachim

AU - Sellberg, Jonas A.

AU - Seibert, M. Marvin

AU - Seuring, Carolin

AU - Shelby, Megan L.

AU - Shoeman, Robert L.

AU - Sikorski, Marcin

AU - Silenzi, Alessandro

AU - Stan, Claudiu A.

AU - Shi, Xintian

AU - Stern, Stephan

AU - Sztuk-Dambietz, Jola

AU - Szuba, Janusz

AU - Tolstikova, Aleksandra

AU - Trebbin, Martin

AU - Trunk, Ulrich

AU - Vagovic, Patrik

AU - Ve, Thomas

AU - Weinhausen, Britta

AU - White, Thomas A.

AU - Wrona, Krzysztof

AU - Xu, Chen

AU - Yefanov, Oleksandr

AU - Zatsepin, Nadia

AU - Zhang, Jiaguo

AU - Perbandt, Markus

AU - Mancuso, Adrian P.

AU - Betzel, Christian

AU - Chapman, Henry

AU - Barty, Anton

N1 - Funding Information: We acknowledge European XFEL in Schenefeld, Germany, for provision of X-ray free-electron laser beamtime at Scientific Instrument SPB/SFX and would like to thank the instrument group and facility staff for their assistance. We also acknowledge useful discussions with John Spence, ASU; Arwen Pearson, UHH; and Ilme Schlichting, MPI-MF. 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 Raum-fahrt) via project 50WB142, the Swedish Research Council; the Knut and Alice Wallen-berg 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. Publisher Copyright: © 2018, The Author(s).

PY - 2018/12/1

Y1 - 2018/12/1

N2 - 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.

AB - 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.

UR - http://www.scopus.com/inward/record.url?scp=85054197272&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=85054197272&partnerID=8YFLogxK

U2 - 10.1038/s41467-018-06156-7

DO - 10.1038/s41467-018-06156-7

M3 - Article

C2 - 30279492

AN - SCOPUS:85054197272

SN - 2041-1723

VL - 9

JO - Nature Communications

JF - Nature Communications

IS - 1

M1 - 4025

ER -

Megahertz serial crystallography

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