Evaluation of serial crystallographic structure determination within megahertz pulse trains

Oleksandr Yefanov; Dominik Oberthür; Richard Bean; Max O Wiedorn; Juraj Knoska; Gisel Pena; Salah Awel; Lars Gumprecht; Martin Domaracky; Iosifina Sarrou; P Lourdu Xavier; Markus Metz; Saša Bajt; Valerio Mariani; Yaroslav Gevorkov; Thomas A White; Aleksandra Tolstikova; Pablo Villanueva-Perez; Carolin Seuring; Steve Aplin; Armando D Estillore; Jochen Küpper; Alexander Klyuev; Manuela Kuhn; Torsten Laurus; Heinz Graafsma; Diana C F Monteiro; Martin Trebbin; Filipe R N C Maia; Francisco Cruz-Mazo; Alfonso M Gañán-Calvo; Michael Heymann; Connie Darmanin; Brian Abbey; Marius Schmidt; Petra Fromme; Klaus Giewekemeyer; Marcin Sikorski; Rita Graceffa; Patrik Vagovic; Thomas Kluyver; Martin Bergemann; Hans Fangohr; Jolanta Sztuk-Dambietz; Steffen Hauf; Natascha Raab; Valerii Bondar; Adrian P Mancuso; Henry Chapman; Anton Barty

doi:10.1063/1.5124387

Evaluation of serial crystallographic structure determination within megahertz pulse trains

Oleksandr Yefanov, Dominik Oberthür, Richard Bean, Max O Wiedorn, Juraj Knoska, Gisel Pena, Salah Awel, Lars Gumprecht, Martin Domaracky, Iosifina Sarrou, P Lourdu Xavier, Markus Metz, Saša Bajt, Valerio Mariani, Yaroslav Gevorkov, Thomas A White, Aleksandra Tolstikova, Pablo Villanueva-Perez, Carolin Seuring, Steve AplinArmando D Estillore, Jochen Küpper, Alexander Klyuev, Manuela Kuhn, Torsten Laurus, Heinz Graafsma, Diana C F Monteiro, Martin Trebbin, Filipe R N C Maia, Francisco Cruz-Mazo, Alfonso M Gañán-Calvo, Michael Heymann, Connie Darmanin, Brian Abbey, Marius Schmidt, Petra Fromme, Klaus Giewekemeyer, Marcin Sikorski, Rita Graceffa, Patrik Vagovic, Thomas Kluyver, Martin Bergemann, Hans Fangohr, Jolanta Sztuk-Dambietz, Steffen Hauf, Natascha Raab, Valerii Bondar, Adrian P Mancuso, Henry Chapman, Anton Barty

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

Abstract

The new European X-ray Free-Electron Laser (European XFEL) is the first X-ray free-electron laser capable of delivering intense X-ray pulses with a megahertz interpulse spacing in a wavelength range suitable for atomic resolution structure determination. An outstanding but crucial question is whether the use of a pulse repetition rate nearly four orders of magnitude higher than previously possible results in unwanted structural changes due to either radiation damage or systematic effects on data quality. Here, separate structures from the first and subsequent pulses in the European XFEL pulse train were determined, showing that there is essentially no difference between structures determined from different pulses under currently available operating conditions at the European XFEL.

Original language	English
Pages (from-to)	064702
Journal	Structural Dynamics
Volume	6
Issue number	6
DOIs	https://doi.org/10.1063/1.5124387
Publication status	Published - 2019 Nov
Externally published	Yes

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Yefanov, O., Oberthür, D., Bean, R., Wiedorn, M. O., Knoska, J., Pena, G., Awel, S., Gumprecht, L., Domaracky, M., Sarrou, I., Lourdu Xavier, P., Metz, M., Bajt, S., Mariani, V., Gevorkov, Y., White, T. A., Tolstikova, A., Villanueva-Perez, P., Seuring, C., ... Barty, A. (2019). Evaluation of serial crystallographic structure determination within megahertz pulse trains. Structural Dynamics, 6(6), 064702. https://doi.org/10.1063/1.5124387

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title = "Evaluation of serial crystallographic structure determination within megahertz pulse trains",

abstract = "The new European X-ray Free-Electron Laser (European XFEL) is the first X-ray free-electron laser capable of delivering intense X-ray pulses with a megahertz interpulse spacing in a wavelength range suitable for atomic resolution structure determination. An outstanding but crucial question is whether the use of a pulse repetition rate nearly four orders of magnitude higher than previously possible results in unwanted structural changes due to either radiation damage or systematic effects on data quality. Here, separate structures from the first and subsequent pulses in the European XFEL pulse train were determined, showing that there is essentially no difference between structures determined from different pulses under currently available operating conditions at the European XFEL.",

author = "Oleksandr Yefanov and Dominik Oberth{\"u}r and Richard Bean and Wiedorn, {Max O} and Juraj Knoska and Gisel Pena and Salah Awel and Lars Gumprecht and Martin Domaracky and Iosifina Sarrou and {Lourdu Xavier}, P and Markus Metz and Sa{\v s}a Bajt and Valerio Mariani and Yaroslav Gevorkov and White, {Thomas A} and Aleksandra Tolstikova and Pablo Villanueva-Perez and Carolin Seuring and Steve Aplin and Estillore, {Armando D} and Jochen K{\"u}pper and Alexander Klyuev and Manuela Kuhn and Torsten Laurus and Heinz Graafsma and Monteiro, {Diana C F} and Martin Trebbin and Maia, {Filipe R N C} and Francisco Cruz-Mazo and Ga{\~n}{\'a}n-Calvo, {Alfonso M} and Michael Heymann and Connie Darmanin and Brian Abbey and Marius Schmidt and Petra Fromme and Klaus Giewekemeyer and Marcin Sikorski and Rita Graceffa and Patrik Vagovic and Thomas Kluyver and Martin Bergemann and Hans Fangohr and Jolanta Sztuk-Dambietz and Steffen Hauf and Natascha Raab and Valerii Bondar and Mancuso, {Adrian P} and Henry Chapman and Anton Barty",

note = "{\textcopyright} 2019 Author(s).",

year = "2019",

month = nov,

doi = "10.1063/1.5124387",

language = "English",

volume = "6",

pages = "064702",

journal = "Structural Dynamics",

issn = "2329-7778",

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Yefanov, O, Oberthür, D, Bean, R, Wiedorn, MO, Knoska, J, Pena, G, Awel, S, Gumprecht, L, Domaracky, M, Sarrou, I, Lourdu Xavier, P, Metz, M, Bajt, S, Mariani, V, Gevorkov, Y, White, TA, Tolstikova, A, Villanueva-Perez, P, Seuring, C, Aplin, S, Estillore, AD, Küpper, J, Klyuev, A, Kuhn, M, Laurus, T, Graafsma, H, Monteiro, DCF, Trebbin, M, Maia, FRNC, Cruz-Mazo, F, Gañán-Calvo, AM, Heymann, M, Darmanin, C, Abbey, B, Schmidt, M, Fromme, P, Giewekemeyer, K, Sikorski, M, Graceffa, R, Vagovic, P, Kluyver, T, Bergemann, M, Fangohr, H, Sztuk-Dambietz, J, Hauf, S, Raab, N, Bondar, V, Mancuso, AP, Chapman, H & Barty, A 2019, 'Evaluation of serial crystallographic structure determination within megahertz pulse trains', Structural Dynamics, vol. 6, no. 6, pp. 064702. https://doi.org/10.1063/1.5124387

TY - JOUR

T1 - Evaluation of serial crystallographic structure determination within megahertz pulse trains

AU - Yefanov, Oleksandr

AU - Oberthür, Dominik

AU - Bean, Richard

AU - Wiedorn, Max O

AU - Knoska, Juraj

AU - Pena, Gisel

AU - Awel, Salah

AU - Gumprecht, Lars

AU - Domaracky, Martin

AU - Sarrou, Iosifina

AU - Lourdu Xavier, P

AU - Metz, Markus

AU - Bajt, Saša

AU - Mariani, Valerio

AU - Gevorkov, Yaroslav

AU - White, Thomas A

AU - Tolstikova, Aleksandra

AU - Villanueva-Perez, Pablo

AU - Seuring, Carolin

AU - Aplin, Steve

AU - Estillore, Armando D

AU - Küpper, Jochen

AU - Klyuev, Alexander

AU - Kuhn, Manuela

AU - Laurus, Torsten

AU - Graafsma, Heinz

AU - Monteiro, Diana C F

AU - Trebbin, Martin

AU - Maia, Filipe R N C

AU - Cruz-Mazo, Francisco

AU - Gañán-Calvo, Alfonso M

AU - Heymann, Michael

AU - Darmanin, Connie

AU - Abbey, Brian

AU - Schmidt, Marius

AU - Fromme, Petra

AU - Giewekemeyer, Klaus

AU - Sikorski, Marcin

AU - Graceffa, Rita

AU - Vagovic, Patrik

AU - Kluyver, Thomas

AU - Bergemann, Martin

AU - Fangohr, Hans

AU - Sztuk-Dambietz, Jolanta

AU - Hauf, Steffen

AU - Raab, Natascha

AU - Bondar, Valerii

AU - Mancuso, Adrian P

AU - Chapman, Henry

AU - Barty, Anton

PY - 2019/11

Y1 - 2019/11

N2 - The new European X-ray Free-Electron Laser (European XFEL) is the first X-ray free-electron laser capable of delivering intense X-ray pulses with a megahertz interpulse spacing in a wavelength range suitable for atomic resolution structure determination. An outstanding but crucial question is whether the use of a pulse repetition rate nearly four orders of magnitude higher than previously possible results in unwanted structural changes due to either radiation damage or systematic effects on data quality. Here, separate structures from the first and subsequent pulses in the European XFEL pulse train were determined, showing that there is essentially no difference between structures determined from different pulses under currently available operating conditions at the European XFEL.

AB - The new European X-ray Free-Electron Laser (European XFEL) is the first X-ray free-electron laser capable of delivering intense X-ray pulses with a megahertz interpulse spacing in a wavelength range suitable for atomic resolution structure determination. An outstanding but crucial question is whether the use of a pulse repetition rate nearly four orders of magnitude higher than previously possible results in unwanted structural changes due to either radiation damage or systematic effects on data quality. Here, separate structures from the first and subsequent pulses in the European XFEL pulse train were determined, showing that there is essentially no difference between structures determined from different pulses under currently available operating conditions at the European XFEL.

U2 - 10.1063/1.5124387

DO - 10.1063/1.5124387

M3 - Article

C2 - 31832488

SN - 2329-7778

VL - 6

SP - 064702

JO - Structural Dynamics

JF - Structural Dynamics

IS - 6

ER -

Evaluation of serial crystallographic structure determination within megahertz pulse trains

Abstract

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