The University of Southampton
University of Southampton Institutional Repository

Megahertz serial crystallography

Megahertz serial crystallography
Megahertz serial crystallography

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.

1-11
Wiedorn, Max O.
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Oberthür, Dominik
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Bean, Richard
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Schubert, Robin
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Werner, Nadine
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Abbey, Brian
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Aepfelbacher, Martin
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Adriano, Luigi
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Allahgholi, Aschkan
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Al-Qudami, Nasser
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Andreasson, Jakob
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Aplin, Steve
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Awel, Salah
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Ayyer, Kartik
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Bajt, Saša
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Barák, Imrich
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Bari, Sadia
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Bielecki, Johan
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Botha, Sabine
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Boukhelef, Djelloul
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Brehm, Wolfgang
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Brockhauser, Sandor
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Cheviakov, Igor
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Coleman, Matthew A.
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Cruz-Mazo, Francisco
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Danilevski, Cyril
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Darmanin, Connie
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Doak, R. Bruce
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Domaracky, Martin
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Dörner, Katerina
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Du, Yang
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Fangohr, Hans
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Fleckenstein, Holger
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Frank, Matthias
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Fromme, Petra
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Gañán-Calvo, Alfonso M.
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Gevorkov, Yaroslav
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Giewekemeyer, Klaus
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Ginn, Helen Mary
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Graafsma, Heinz
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Graceffa, Rita
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Greiffenberg, Dominic
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Gumprecht, Lars
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Göttlicher, Peter
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Hajdu, Janos
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Hauf, Steffen
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Heymann, Michael
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Holmes, Susannah
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Horke, Daniel A.
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Hunter, Mark S.
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Imlau, Siegfried
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Kaukher, Alexander
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Kim, Yoonhee
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Klyuev, Alexander
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Knoška, Juraj
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Kobe, Bostjan
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Kuhn, Manuela
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Kupitz, Christopher
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Küpper, Jochen
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Lahey-Rudolph, Janine Mia
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Laurus, Torsten
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Le Cong, Karoline
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Letrun, Romain
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Xavier, P. Lourdu
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Maia, Luis
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Maia, Filipe R.N.C.
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Mariani, Valerio
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Messerschmidt, Marc
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Metz, Markus
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Mezza, Davide
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Michelat, Thomas
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Mills, Grant
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Monteiro, Diana C.F.
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Morgan, Andrew
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Mühlig, Kerstin
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Munke, Anna
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Münnich, Astrid
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Nette, Julia
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Nugent, Keith A.
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Nuguid, Theresa
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Orville, Allen M.
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Pandey, Suraj
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Pena, Gisel
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Villanueva-Perez, Pablo
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Poehlsen, Jennifer
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Previtali, Gianpietro
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Redecke, Lars
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Riekehr, Winnie Maria
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Rohde, Holger
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Round, Adam
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Safenreiter, Tatiana
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Sarrou, Iosifina
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Sato, Tokushi
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Schmidt, Marius
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Schmitt, Bernd
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Schönherr, Robert
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Schulz, Joachim
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Sellberg, Jonas A.
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Seibert, M. Marvin
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Seuring, Carolin
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Shelby, Megan L.
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Shoeman, Robert L.
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Sikorski, Marcin
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Silenzi, Alessandro
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Stan, Claudiu A.
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Shi, Xintian
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Stern, Stephan
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Sztuk-Dambietz, Jola
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Szuba, Janusz
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Tolstikova, Aleksandra
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Trebbin, Martin
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Trunk, Ulrich
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Vagovic, Patrik
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Ve, Thomas
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Weinhausen, Britta
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White, Thomas A.
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Wrona, Krzysztof
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Xu, Chen
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Yefanov, Oleksandr
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Zatsepin, Nadia
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Zhang, Jiaguo
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Perbandt, Markus
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Mancuso, Adrian P.
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Betzel, Christian
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Chapman, Henry
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Barty, Anton
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Wiedorn, Max O.
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Oberthür, Dominik
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Bean, Richard
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Schubert, Robin
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Werner, Nadine
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Abbey, Brian
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Aepfelbacher, Martin
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Adriano, Luigi
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Allahgholi, Aschkan
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Al-Qudami, Nasser
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Andreasson, Jakob
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Barák, Imrich
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Bari, Sadia
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Bielecki, Johan
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Botha, Sabine
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Boukhelef, Djelloul
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Brehm, Wolfgang
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Brockhauser, Sandor
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Cheviakov, Igor
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Coleman, Matthew A.
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Cruz-Mazo, Francisco
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Danilevski, Cyril
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Darmanin, Connie
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Doak, R. Bruce
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Domaracky, Martin
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Dörner, Katerina
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Du, Yang
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Fangohr, Hans
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Fleckenstein, Holger
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Frank, Matthias
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Fromme, Petra
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Gañán-Calvo, Alfonso M.
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Gevorkov, Yaroslav
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Giewekemeyer, Klaus
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Ginn, Helen Mary
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Graafsma, Heinz
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Graceffa, Rita
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Greiffenberg, Dominic
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Gumprecht, Lars
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Hajdu, Janos
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Hauf, Steffen
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Heymann, Michael
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Holmes, Susannah
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Horke, Daniel A.
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Hunter, Mark S.
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Imlau, Siegfried
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Kaukher, Alexander
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Kim, Yoonhee
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Klyuev, Alexander
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Knoška, Juraj
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Kobe, Bostjan
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Kuhn, Manuela
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Kupitz, Christopher
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Küpper, Jochen
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Lahey-Rudolph, Janine Mia
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Laurus, Torsten
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Le Cong, Karoline
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Letrun, Romain
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Xavier, P. Lourdu
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Maia, Luis
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Maia, Filipe R.N.C.
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Mariani, Valerio
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Messerschmidt, Marc
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Metz, Markus
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Mezza, Davide
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Michelat, Thomas
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Mills, Grant
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Monteiro, Diana C.F.
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Morgan, Andrew
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Mühlig, Kerstin
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Munke, Anna
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Münnich, Astrid
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Nette, Julia
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Nugent, Keith A.
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Nuguid, Theresa
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Orville, Allen M.
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Pandey, Suraj
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Pena, Gisel
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Villanueva-Perez, Pablo
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Poehlsen, Jennifer
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Previtali, Gianpietro
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Redecke, Lars
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Riekehr, Winnie Maria
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Rohde, Holger
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Round, Adam
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Safenreiter, Tatiana
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Sarrou, Iosifina
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Sato, Tokushi
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Schmidt, Marius
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Schmitt, Bernd
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Schönherr, Robert
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Schulz, Joachim
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Sellberg, Jonas A.
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Seibert, M. Marvin
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Seuring, Carolin
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Shelby, Megan L.
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Shoeman, Robert L.
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Sikorski, Marcin
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Silenzi, Alessandro
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Stan, Claudiu A.
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Shi, Xintian
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Stern, Stephan
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Sztuk-Dambietz, Jola
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Szuba, Janusz
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Tolstikova, Aleksandra
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Trebbin, Martin
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Trunk, Ulrich
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Vagovic, Patrik
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Ve, Thomas
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Weinhausen, Britta
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White, Thomas A.
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Wrona, Krzysztof
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Xu, Chen
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Yefanov, Oleksandr
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Zatsepin, Nadia
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Zhang, Jiaguo
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Perbandt, Markus
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Mancuso, Adrian P.
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Betzel, Christian
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Chapman, Henry
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Barty, Anton
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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 and Barty, Anton (2018) Megahertz serial crystallography. Nature Communications, 9 (1), 1-11, [4025]. (doi:10.1038/s41467-018-06156-7).

Record type: Article

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.

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Accepted/In Press date: 21 August 2018
e-pub ahead of print date: 2 October 2018
Published date: 1 December 2018

Identifiers

Local EPrints ID: 425349
URI: http://eprints.soton.ac.uk/id/eprint/425349
PURE UUID: adaf026f-44a1-4df8-a7ea-42cf0ae6b663
ORCID for Hans Fangohr: ORCID iD orcid.org/0000-0001-5494-7193

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Date deposited: 15 Oct 2018 16:30
Last modified: 06 Jun 2024 01:38

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Contributors

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

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