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

149 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

General Chemistry
General Biochemistry, Genetics and Molecular Biology
General Physics and Astronomy

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10.1038/s41467-018-06156-7

Cite this

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), Article 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

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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 = "Publisher Copyright: {\textcopyright} 2018, The Author(s).",

year = "2018",

month = dec,

day = "1",

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

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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

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.

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DO - 10.1038/s41467-018-06156-7

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SN - 2041-1723

VL - 9

JO - Nature communications

JF - Nature communications

IS - 1

M1 - 4025

ER -

Megahertz serial crystallography

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Serial Femtosecond Crystallography at Megahertz pulse rates

Serial Femtosecond Crystallography at Megahertz pulse rates

Multi-Hit SFX using MHz XFEL sources

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Megahertz serial crystallography

Abstract

ASJC Scopus subject areas

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Datasets

Serial Femtosecond Crystallography at Megahertz pulse rates

Serial Femtosecond Crystallography at Megahertz pulse rates

Multi-Hit SFX using MHz XFEL sources

Cite this