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; Joachim Schulz; BioXFEL; Anna Munke

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, Joachim Schulz, BioXFEL, Anna Munke

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

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
Pages (from-to)	4025
Number of pages	1
Journal	Nature Communications
Volume	9
Issue number	1
DOIs	https://doi.org/10.1038/s41467-018-06156-7
Publication status	Published - 2018
Externally published	Yes

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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., ... Munke, A. (2018). Megahertz serial crystallography. Nature Communications, 9(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 Joachim Schulz and BioXFEL and Anna Munke",

year = "2018",

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

language = "English",

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pages = "4025",

journal = "Nature Communications",

issn = "2041-1723",

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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, Schulz, J, BioXFEL & Munke, A 2018, 'Megahertz serial crystallography', Nature Communications, vol. 9, no. 1, pp. 4025. https://doi.org/10.1038/s41467-018-06156-7

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 - Schulz, Joachim

AU - BioXFEL

AU - Munke, Anna

PY - 2018

Y1 - 2018

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.

U2 - 10.1038/s41467-018-06156-7

DO - 10.1038/s41467-018-06156-7

M3 - Article

C2 - 30279492

SN - 2041-1723

VL - 9

SP - 4025

JO - Nature Communications

JF - Nature Communications

IS - 1

ER -

Megahertz serial crystallography

Abstract

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