title: A data set from flash X-ray imaging of carboxysomes.
abstract: 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.
authors.affiliation: Department of Cell and Molecular Biology, Laboratory of Molecular Biophysics, Uppsala University, Husargatan 3 (Box 596), Uppsala SE-751 24, Sweden.
authors.forename: Max F
authors.initials: MF
authors.lastname: Hantke
authors.affiliation: Department of Cell and Molecular Biology, Laboratory of Molecular Biophysics, Uppsala University, Husargatan 3 (Box 596), Uppsala SE-751 24, Sweden.
authors.forename: Dirk
authors.initials: D
authors.lastname: Hasse
authors.affiliation: Department of Cell and Molecular Biology, Laboratory of Molecular Biophysics, Uppsala University, Husargatan 3 (Box 596), Uppsala SE-751 24, Sweden.
authors.forename: Tomas
authors.initials: T
authors.lastname: Ekeberg
authors.affiliation: Department of Cell and Molecular Biology, Laboratory of Molecular Biophysics, Uppsala University, Husargatan 3 (Box 596), Uppsala SE-751 24, Sweden.
authors.forename: Katja
authors.initials: K
authors.lastname: John
authors.affiliation: Department of Cell and Molecular Biology, Laboratory of Molecular Biophysics, Uppsala University, Husargatan 3 (Box 596), Uppsala SE-751 24, Sweden.
authors.forename: Martin
authors.initials: M
authors.lastname: Svenda
authors.affiliation: Centre for BioImaging Sciences, National University of Singapore, 14 Science Drive 4, Singapore 117543, Singapore.
authors.forename: Duane
authors.initials: D
authors.lastname: Loh
authors.affiliation: ARC Centre of Excellence for Advanced Molecular Imaging, School of Physics, The University of Melbourne, Victoria 3010, Australia.
authors.forename: Andrew V
authors.initials: AV
authors.lastname: Martin
authors.affiliation: Department of Cell and Molecular Biology, Laboratory of Molecular Biophysics, Uppsala University, Husargatan 3 (Box 596), Uppsala SE-751 24, Sweden.|Department of Physics and Astronomy, Uppsala University, Lägerhyddsvägen 1, Box 516, Uppsala SE- 751 20, Sweden.
authors.forename: Nicusor
authors.initials: N
authors.lastname: Timneanu
authors.affiliation: Department of Cell and Molecular Biology, Laboratory of Molecular Biophysics, Uppsala University, Husargatan 3 (Box 596), Uppsala SE-751 24, Sweden.
authors.forename: Daniel S D
authors.initials: DS
authors.lastname: Larsson
authors.affiliation: Department of Cell and Molecular Biology, Laboratory of Molecular Biophysics, Uppsala University, Husargatan 3 (Box 596), Uppsala SE-751 24, Sweden.
authors.forename: Gijs
authors.initials: G
authors.lastname: van der Schot
authors.affiliation: Department of Cell and Molecular Biology, Laboratory of Molecular Biophysics, Uppsala University, Husargatan 3 (Box 596), Uppsala SE-751 24, Sweden.
authors.forename: Gunilla H
authors.initials: GH
authors.lastname: Carlsson
authors.affiliation: Department of Cell and Molecular Biology, Laboratory of Molecular Biophysics, Uppsala University, Husargatan 3 (Box 596), Uppsala SE-751 24, Sweden.
authors.forename: Margareta
authors.initials: M
authors.lastname: Ingelman
authors.affiliation: Department of Cell and Molecular Biology, Laboratory of Molecular Biophysics, Uppsala University, Husargatan 3 (Box 596), Uppsala SE-751 24, Sweden.|ELI beamlines, Institute of Physics, Academy of Sciences of the Czech Republic, Na Slovance 2, Prague 18221, Czech Republic.
authors.forename: Jakob
authors.initials: J
authors.lastname: Andreasson
authors.affiliation: Department of Cell and Molecular Biology, Laboratory of Molecular Biophysics, Uppsala University, Husargatan 3 (Box 596), Uppsala SE-751 24, Sweden.
authors.forename: Daniel
authors.initials: D
authors.lastname: Westphal
authors.affiliation: Department of Cell and Molecular Biology, Laboratory of Molecular Biophysics, Uppsala University, Husargatan 3 (Box 596), Uppsala SE-751 24, Sweden.
authors.forename: Bianca
authors.initials: B
authors.lastname: Iwan
authors.affiliation: Department of Cell and Molecular Biology, Laboratory of Molecular Biophysics, Uppsala University, Husargatan 3 (Box 596), Uppsala SE-751 24, Sweden.
authors.forename: Charlotte
authors.initials: C
authors.lastname: Uetrecht
authors.affiliation: Department of Cell and Molecular Biology, Laboratory of Molecular Biophysics, Uppsala University, Husargatan 3 (Box 596), Uppsala SE-751 24, Sweden.
authors.forename: Johan
authors.initials: J
authors.lastname: Bielecki
authors.affiliation: Center for Free-Electron Laser Science, DESY, Notkestrasse 85, Hamburg 22607, Germany.
authors.forename: Mengning
authors.initials: M
authors.lastname: Liang
authors.affiliation: Center for Free-Electron Laser Science, DESY, Notkestrasse 85, Hamburg 22607, Germany.|I.N.F.N. and Physics Department, University of Rome 'Tor Vergata', Via della Ricerca Scientifica 1, Rome 00133, Italy.
authors.forename: Francesco
authors.initials: F
authors.lastname: Stellato
authors.affiliation: LCLS, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025, USA.
authors.forename: Daniel P
authors.initials: DP
authors.lastname: DePonte
authors.affiliation: European XFEL GmbH, Albert-Einstein-Ring 19, Hamburg 22761, Germany.|Deutsches Elektronen-Synchrotron DESY, Notkestr. 85, Hamburg 22607, Germany.
authors.forename: Sadia
authors.initials: S
authors.lastname: Bari
authors.affiliation: PNSensor GmbH, Römerstrasse 28, München 80803, Germany.
authors.forename: Robert
authors.initials: R
authors.lastname: Hartmann
authors.affiliation: Max Planck Institute for Extraterrestrial Physics, Giessenbachstrasse, Garching 85741, Germany.
authors.forename: Nils
authors.initials: N
authors.lastname: Kimmel
authors.affiliation: Center for Free-Electron Laser Science, DESY, Notkestrasse 85, Hamburg 22607, Germany.
authors.forename: Richard A
authors.initials: RA
authors.lastname: Kirian
authors.affiliation: Department of Cell and Molecular Biology, Laboratory of Molecular Biophysics, Uppsala University, Husargatan 3 (Box 596), Uppsala SE-751 24, Sweden.|LCLS, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025, USA.
authors.forename: M Marvin
authors.initials: MM
authors.lastname: Seibert
authors.affiliation: Department of Cell and Molecular Biology, Laboratory of Molecular Biophysics, Uppsala University, Husargatan 3 (Box 596), Uppsala SE-751 24, Sweden.
authors.forename: Kerstin
authors.initials: K
authors.lastname: Mühlig
authors.affiliation: LCLS, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025, USA.
authors.forename: Sebastian
authors.initials: S
authors.lastname: Schorb
authors.affiliation: LCLS, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025, USA.
authors.forename: Ken
authors.initials: K
authors.lastname: Ferguson
authors.affiliation: LCLS, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025, USA.
authors.forename: Christoph
authors.initials: C
authors.lastname: Bostedt
authors.affiliation: LCLS, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025, USA.
authors.forename: Sebastian
authors.initials: S
authors.lastname: Carron
authors.affiliation: LCLS, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025, USA.
authors.forename: John D
authors.initials: JD
authors.lastname: Bozek
authors.affiliation: Center for Free-Electron Laser Science, DESY, Notkestrasse 85, Hamburg 22607, Germany.|Department of Physics, J.R. Macdonald Laboratory, Kansas State University, Cardwell Hall, Manhattan, Kansas 66506, USA.|Max Planck Institute for Medical Research, Jahnstraße 29, Heidelberg 69120, Germany.|Max Planck Advanced Study Group at the Center for Free-Electron Laser Science (CFEL), Notkestraße 85, Hamburg 22607, Germany.
authors.forename: Daniel
authors.initials: D
authors.lastname: Rolles
authors.affiliation: Department of Physics, J.R. Macdonald Laboratory, Kansas State University, Cardwell Hall, Manhattan, Kansas 66506, USA.|Max Planck Advanced Study Group at the Center for Free-Electron Laser Science (CFEL), Notkestraße 85, Hamburg 22607, Germany.|Max Planck Institute for Nuclear Physics, Saupfercheckweg 1, Heidelberg 69117, Germany.
authors.forename: Artem
authors.initials: A
authors.lastname: Rudenko
authors.affiliation: Max Planck Institute for Medical Research, Jahnstraße 29, Heidelberg 69120, Germany.|Max Planck Advanced Study Group at the Center for Free-Electron Laser Science (CFEL), Notkestraße 85, Hamburg 22607, Germany.
authors.forename: Lutz
authors.initials: L
authors.lastname: Foucar
authors.affiliation: Max Planck Advanced Study Group at the Center for Free-Electron Laser Science (CFEL), Notkestraße 85, Hamburg 22607, Germany.|Max Planck Institute for Nuclear Physics, Saupfercheckweg 1, Heidelberg 69117, Germany.|Max Planck Institute for the Structure and Dynamics of Matter, Luruper Chaussee 149, Hamburg 22761, Germany.
authors.forename: Sascha W
authors.initials: SW
authors.lastname: Epp
authors.affiliation: Center for Free-Electron Laser Science, DESY, Notkestrasse 85, Hamburg 22607, Germany.
authors.forename: Henry N
authors.initials: HN
authors.lastname: Chapman
authors.affiliation: Center for Free-Electron Laser Science, DESY, Notkestrasse 85, Hamburg 22607, Germany.
authors.forename: Anton
authors.initials: A
authors.lastname: Barty
authors.affiliation: Department of Cell and Molecular Biology, Laboratory of Molecular Biophysics, Uppsala University, Husargatan 3 (Box 596), Uppsala SE-751 24, Sweden.
authors.forename: Inger
authors.initials: I
authors.lastname: Andersson
authors.affiliation: Department of Cell and Molecular Biology, Laboratory of Molecular Biophysics, Uppsala University, Husargatan 3 (Box 596), Uppsala SE-751 24, Sweden.|European XFEL GmbH, Albert-Einstein-Ring 19, Hamburg 22761, Germany.
authors.forename: Janos
authors.initials: J
authors.lastname: Hajdu
authors.affiliation: Department of Cell and Molecular Biology, Laboratory of Molecular Biophysics, Uppsala University, Husargatan 3 (Box 596), Uppsala SE-751 24, Sweden.|NERSC, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA.
authors.forename: Filipe R N C
authors.initials: FR
authors.lastname: Maia
mesh_terms: D057486:Carbon Cycle; D044222:Halothiobacillus / Q000378:metabolism / Q000648:ultrastructure*; D015388:Organelles / Q000648:ultrastructure; D014965:X-Rays