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Seibert, Marvin
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Publications (10 of 67) Show all publications
Li, H., Nazari, R., Abbey, B., Alvarez, R., Aquila, A., Ayyer, K., . . . Zaare, S. (2020). Diffraction data from aerosolized Coliphage PR772 virus particles imaged with the Linac Coherent Light Source. Scientific Data, 7(1), Article ID 404.
Open this publication in new window or tab >>Diffraction data from aerosolized Coliphage PR772 virus particles imaged with the Linac Coherent Light Source
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2020 (English)In: Scientific Data, E-ISSN 2052-4463, Vol. 7, no 1, article id 404Article in journal (Refereed) Published
Abstract [en]

Single Particle Imaging (SPI) with intense coherent X-ray pulses from X-ray free-electron lasers (XFELs) has the potential to produce molecular structures without the need for crystallization or freezing. Here we present a dataset of 285,944 diffraction patterns from aerosolized Coliphage PR772 virus particles injected into the femtosecond X-ray pulses of the Linac Coherent Light Source (LCLS). Additional exposures with background information are also deposited. The diffraction data were collected at the Atomic, Molecular and Optical Science Instrument (AMO) of the LCLS in 4 experimental beam times during a period of four years. The photon energy was either 1.2 or 1.7keV and the pulse energy was between 2 and 4 mJ in a focal spot of about 1.3 mu m x 1.7 mu m full width at half maximum (FWHM). The X-ray laser pulses captured the particles in random orientations. The data offer insight into aerosolised virus particles in the gas phase, contain information relevant to improving experimental parameters, and provide a basis for developing algorithms for image analysis and reconstruction.

Place, publisher, year, edition, pages
NATURE RESEARCH, 2020
National Category
Atom and Molecular Physics and Optics
Identifiers
urn:nbn:se:uu:diva-429064 (URN)10.1038/s41597-020-00745-2 (DOI)000594590300003 ()33214568 (PubMedID)
Available from: 2020-12-21 Created: 2020-12-21 Last updated: 2021-01-18Bibliographically approved
Bielecki, J., Hantke, M. F., Daurer, B. J., Reddy, H. K. N., Hasse, D., Larsson, D. S. D., . . . Maia, F. R. N. (2019). Electrospray sample injection for single-particle imaging with x-ray lasers. Science Advances, 5(5), Article ID eaav8801.
Open this publication in new window or tab >>Electrospray sample injection for single-particle imaging with x-ray lasers
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2019 (English)In: Science Advances, E-ISSN 2375-2548, Vol. 5, no 5, article id eaav8801Article in journal (Refereed) Published
National Category
Biophysics
Identifiers
urn:nbn:se:uu:diva-387970 (URN)10.1126/sciadv.aav8801 (DOI)000470125000080 ()31058226 (PubMedID)
Available from: 2019-05-03 Created: 2019-06-27 Last updated: 2023-10-31Bibliographically approved
Lundholm, I. V., Sellberg, J. A., Ekeberg, T., Hantke, M. F., Okamoto, K., van der Schot, G., . . . Maia, F. R. N. (2018). Considerations for three-dimensional image reconstruction from experimental data in coherent diffractive imaging. IUCrJ, 5, 531-541
Open this publication in new window or tab >>Considerations for three-dimensional image reconstruction from experimental data in coherent diffractive imaging
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2018 (English)In: IUCrJ, E-ISSN 2052-2525, Vol. 5, p. 531-541Article in journal (Refereed) Published
National Category
Biophysics
Identifiers
urn:nbn:se:uu:diva-360034 (URN)10.1107/S2052252518010047 (DOI)000444010100003 ()
Projects
eSSENCE
Available from: 2018-09-01 Created: 2018-09-09 Last updated: 2022-09-28Bibliographically approved
Gorkhover, T., Ulmer, A., Ferguson, K., Bucher, M., Maia, F. R. N., Bielecki, J., . . . Bostedt, C. (2018). Femtosecond X-ray Fourier holography imaging of free-flying nanoparticles [Letter to the editor]. Nature Photonics, 12, 150-153
Open this publication in new window or tab >>Femtosecond X-ray Fourier holography imaging of free-flying nanoparticles
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2018 (English)In: Nature Photonics, ISSN 1749-4885, E-ISSN 1749-4893, Vol. 12, p. 150-153Article in journal, Letter (Refereed) Published
National Category
Biophysics
Identifiers
urn:nbn:se:uu:diva-345590 (URN)10.1038/s41566-018-0110-y (DOI)000426153800014 ()
Projects
eSSENCE
Available from: 2018-02-26 Created: 2018-03-09 Last updated: 2019-07-01Bibliographically approved
Wiedorn, M. O., Oberthuer, D., Bean, R., Schubert, R., Werner, N., Abbey, B., . . . Barty, A. (2018). Megahertz serial crystallography. Nature Communications, 9, Article ID 4025.
Open this publication in new window or tab >>Megahertz serial crystallography
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2018 (English)In: Nature Communications, E-ISSN 2041-1723, Vol. 9, article id 4025Article in journal (Refereed) Published
Abstract [en]

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 beta-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.

Place, publisher, year, edition, pages
Nature Publishing Group, 2018
National Category
Physical Chemistry
Identifiers
urn:nbn:se:uu:diva-367393 (URN)10.1038/s41467-018-06156-7 (DOI)000446016400003 ()30279492 (PubMedID)
Funder
EU, European Research Council, 609920Wellcome trustGerman Research Foundation (DFG)
Available from: 2018-12-04 Created: 2018-12-04 Last updated: 2023-10-30Bibliographically approved
Reddy, H. K. N., Yoon, C. H., Aquila, A., Awel, S., Ayyer, K., Barty, A., . . . Xavier Paulraj, L. (2017). Coherent soft X-ray diffraction imaging of Coliphage PR772 at the Linac coherent light source. Scientific Data, 4, Article ID 170079.
Open this publication in new window or tab >>Coherent soft X-ray diffraction imaging of Coliphage PR772 at the Linac coherent light source
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2017 (English)In: Scientific Data, E-ISSN 2052-4463, Vol. 4, article id 170079Article in journal (Refereed) Published
National Category
Biophysics
Identifiers
urn:nbn:se:uu:diva-328536 (URN)10.1038/sdata.2017.79 (DOI)000404232100001 ()28654088 (PubMedID)
Projects
eSSENCE
Available from: 2017-06-27 Created: 2017-08-25 Last updated: 2019-08-25Bibliographically approved
Daurer, B. J., Okamoto, K., Bielecki, J., Maia, F. R. N., Mühlig, K., Seibert, M. M., . . . Larsson, D. S. D. (2017). Experimental strategies for imaging bioparticles with femtosecond hard X-ray pulses. IUCrJ, 4, 251-262
Open this publication in new window or tab >>Experimental strategies for imaging bioparticles with femtosecond hard X-ray pulses
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2017 (English)In: IUCrJ, E-ISSN 2052-2525, Vol. 4, p. 251-262Article in journal (Refereed) Published
National Category
Biophysics
Identifiers
urn:nbn:se:uu:diva-323439 (URN)10.1107/S2052252517003591 (DOI)000400460500008 ()28512572 (PubMedID)
Projects
eSSENCE
Available from: 2017-04-07 Created: 2017-11-14 Last updated: 2023-10-30Bibliographically approved
Popp, D., Loh, N. D., Zorgati, H., Ghoshdastider, U., Liow, L. T., Ivanova, M. I., . . . Robinson, R. C. (2017). Flow-aligned, single-shot fiber diffraction using a femtosecond X-ray free-electron laser. Paper presented at International Symposium on Now in Actin, DEC, 2016, Nagoya Univ, Nagoya, JAPAN. CYTOSKELETON, 74(12), 472-481
Open this publication in new window or tab >>Flow-aligned, single-shot fiber diffraction using a femtosecond X-ray free-electron laser
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2017 (English)In: CYTOSKELETON, ISSN 1949-3584, Vol. 74, no 12, p. 472-481Article in journal (Refereed) Published
Abstract [en]

A major goal for X-ray free-electron laser (XFEL) based science is to elucidate structures of biological molecules without the need for crystals. Filament systems may provide some of the first single macromolecular structures elucidated by XFEL radiation, since they contain one-dimensional translational symmetry and thereby occupy the diffraction intensity region between the extremes of crystals and single molecules. Here, we demonstrate flow alignment of as few as 100 filaments (Escherichia coli pili, F-actin, and amyloid fibrils), which when intersected by femtosecond X-ray pulses result in diffraction patterns similar to those obtained from classical fiber diffraction studies. We also determine that F-actin can be flow-aligned to a disorientation of approximately 5 degrees. Using this XFEL-based technique, we determine that gelsolin amyloids are comprised of stacked -strands running perpendicular to the filament axis, and that a range of order from fibrillar to crystalline is discernable for individual -synuclein amyloids.

Place, publisher, year, edition, pages
WILEY, 2017
Keywords
fiber diffraction, filament systems, XFEL
National Category
Cell Biology
Identifiers
urn:nbn:se:uu:diva-340293 (URN)10.1002/cm.21378 (DOI)000417746200005 ()28574190 (PubMedID)
Conference
International Symposium on Now in Actin, DEC, 2016, Nagoya Univ, Nagoya, JAPAN
Funder
Knut and Alice Wallenberg FoundationSwedish Research CouncilThe Swedish Foundation for International Cooperation in Research and Higher Education (STINT)
Available from: 2018-01-29 Created: 2018-01-29 Last updated: 2018-01-29Bibliographically approved
Ryan, R. A., Williams, S., Martin, A. V., Dilanian, R. A., Darmanin, C., Putkunz, C. T., . . . Abbey, B. (2017). Measurements of Long-range Electronic Correlations During Femtosecond Diffraction Experiments Performed on Nanocrystals of Buckminsterfullerene. Journal of Visualized Experiments (126), Article ID e56296.
Open this publication in new window or tab >>Measurements of Long-range Electronic Correlations During Femtosecond Diffraction Experiments Performed on Nanocrystals of Buckminsterfullerene
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2017 (English)In: Journal of Visualized Experiments, E-ISSN 1940-087X, no 126, article id e56296Article in journal (Refereed) Published
Abstract [en]

The precise details of the interaction of intense X-ray pulses with matter are a topic of intense interest to researchers attempting to interpret the results of femtosecond X-ray free electron laser (XFEL) experiments. An increasing number of experimental observations have shown that although nuclear motion can be negligible, given a short enough incident pulse duration, electronic motion cannot be ignored. The current and widely accepted models assume that although electrons undergo dynamics driven by interaction with the pulse, their motion could largely be considered 'random'. This would then allow the supposedly incoherent contribution from the electronic motion to be treated as a continuous background signal and thus ignored. The original aim of our experiment was to precisely measure the change in intensity of individual Bragg peaks, due to X-ray induced electronic damage in a model system, crystalline C-60. Contrary to this expectation, we observed that at the highest X-ray intensities, the electron dynamics in C-60 were in fact highly correlated, and over sufficiently long distances that the positions of the Bragg reflections are significantly altered. This paper describes in detail the methods and protocols used for these experiments, which were conducted both at the Linac Coherent Light Source (LCLS) and the Australian Synchrotron (AS) as well as the crystallographic approaches used to analyse the data.

Keywords
Chemistry, Issue 126, Nanocrystallography, Femtosecond X-ray Diffraction, Correlated Electron Dynamics, X-ray Free Electron Lasers, Linac Coherent Light Source, Buckminsterfullerene
National Category
Biophysics
Identifiers
urn:nbn:se:uu:diva-343144 (URN)10.3791/56296 (DOI)000415369500095 ()
Available from: 2018-02-26 Created: 2018-02-26 Last updated: 2024-01-17Bibliographically approved
Hantke, M. F., Hasse, D., Ekeberg, T., John, K., Svenda, M., Loh, D., . . . Maia, F. R. .. (2016). A data set from flash X-ray imaging of carboxysomes. Scientific Data, 3, Article ID 160061.
Open this publication in new window or tab >>A data set from flash X-ray imaging of carboxysomes
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2016 (English)In: Scientific Data, E-ISSN 2052-4463, Vol. 3, article id 160061Article in journal (Refereed) Published
Abstract [en]

Ultra-intense femtosecond X-ray pulses from X-ray lasers permit structural studies on single particles and biomolecules without crystals. We present a large data set on inherently heterogeneous, polyhedral carboxysome particles. Carboxysomes are cell organelles that vary in size and facilitate up to 40% of Earth’s carbon fixation by cyanobacteria and certain proteobacteria. Variation in size hinders crystallization. Carboxysomes appear icosahedral in the electron microscope. A protein shell encapsulates a large number of Rubisco molecules in paracrystalline arrays inside the organelle. We used carboxysomes with a mean diameter of 115±26 nm from Halothiobacillus neapolitanus. A new aerosol sample-injector allowed us to record 70,000 low-noise diffraction patterns in 12 min. Every diffraction pattern is a unique structure measurement and high-throughput imaging allows sampling the space of structural variability. The different structures can be separated and phased directly from the diffraction data and open a way for accurate, high-throughput studies on structures and structural heterogeneity in biology and elsewhere.

National Category
Biophysics
Identifiers
urn:nbn:se:uu:diva-300202 (URN)10.1038/sdata.2016.61 (DOI)000390225400006 ()
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Available from: 2016-08-05 Created: 2016-08-05 Last updated: 2022-01-29Bibliographically approved
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