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Potential for biomolecular imaging with femtosecond X-ray pulses

Author

Listed:
  • Richard Neutze

    (Biomedical Centre, Uppsala University)

  • Remco Wouts

    (Biomedical Centre, Uppsala University)

  • David van der Spoel

    (Biomedical Centre, Uppsala University)

  • Edgar Weckert

    (Institut für Kristallographie, Universität Karlsruhe
    HASYLAB at DESY)

  • Janos Hajdu

    (Biomedical Centre, Uppsala University)

Abstract

Sample damage by X-rays and other radiation limits the resolution of structural studies on non-repetitive and non-reproducible structures such as individual biomolecules or cells1. Cooling can slow sample deterioration, but cannot eliminate damage-induced sample movement during the time needed for conventional measurements1,2. Analyses of the dynamics of damage formation3,4,5 suggest that the conventional damage barrier (about 200 X-ray photons per Å2 with X-rays of 12 keV energy or 1 Å wavelength2) may be extended at very high dose rates and very short exposure times. Here we have used computer simulations to investigate the structural information that can be recovered from the scattering of intense femtosecond X-ray pulses by single protein molecules and small assemblies. Estimations of radiation damage as a function of photon energy, pulse length, integrated pulse intensity and sample size show that experiments using very high X-ray dose rates and ultrashort exposures may provide useful structural information before radiation damage destroys the sample. We predict that such ultrashort, high-intensity X-ray pulses from free-electron lasers6,7 that are currently under development, in combination with container-free sample handling methods based on spraying techniques, will provide a new approach to structural determinations with X-rays.

Suggested Citation

  • Richard Neutze & Remco Wouts & David van der Spoel & Edgar Weckert & Janos Hajdu, 2000. "Potential for biomolecular imaging with femtosecond X-ray pulses," Nature, Nature, vol. 406(6797), pages 752-757, August.
  • Handle: RePEc:nat:nature:v:406:y:2000:i:6797:d:10.1038_35021099
    DOI: 10.1038/35021099
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    Cited by:

    1. Gábor Bortel & Miklós Tegze & Marcin Sikorski & Richard Bean & Johan Bielecki & Chan Kim & Jayanath C. P. Koliyadu & Faisal H. M. Koua & Marco Ramilli & Adam Round & Tokushi Sato & Dmitrii Zabelskii &, 2024. "3D atomic structure from a single X-ray free electron laser pulse," Nature Communications, Nature, vol. 15(1), pages 1-7, December.
    2. Maximilian Wranik & Michal W. Kepa & Emma V. Beale & Daniel James & Quentin Bertrand & Tobias Weinert & Antonia Furrer & Hannah Glover & Dardan Gashi & Melissa Carrillo & Yasushi Kondo & Robin T. Stip, 2023. "A multi-reservoir extruder for time-resolved serial protein crystallography and compound screening at X-ray free-electron lasers," Nature Communications, Nature, vol. 14(1), pages 1-12, December.
    3. Aljoscha Rörig & Sang-Kil Son & Tommaso Mazza & Philipp Schmidt & Thomas M. Baumann & Benjamin Erk & Markus Ilchen & Joakim Laksman & Valerija Music & Shashank Pathak & Daniel E. Rivas & Daniel Rolles, 2023. "Multiple-core-hole resonance spectroscopy with ultraintense X-ray pulses," Nature Communications, Nature, vol. 14(1), pages 1-10, December.
    4. Basudev Maity & Mitsuo Shoji & Fangjia Luo & Takanori Nakane & Satoshi Abe & Shigeki Owada & Jungmin Kang & Kensuke Tono & Rie Tanaka & Thuc Toan Pham & Mariko Kojima & Yuki Hishikawa & Junko Tanaka &, 2024. "Real-time observation of a metal complex-driven reaction intermediate using a porous protein crystal and serial femtosecond crystallography," Nature Communications, Nature, vol. 15(1), pages 1-12, December.
    5. Mario Reiser & Anita Girelli & Anastasia Ragulskaya & Sudipta Das & Sharon Berkowicz & Maddalena Bin & Marjorie Ladd-Parada & Mariia Filianina & Hanna-Friederike Poggemann & Nafisa Begam & Mohammad Sa, 2022. "Resolving molecular diffusion and aggregation of antibody proteins with megahertz X-ray free-electron laser pulses," Nature Communications, Nature, vol. 13(1), pages 1-10, December.
    6. Jiaqi Zhou & Xitao Yu & Sizuo Luo & Xiaorui Xue & Shaokui Jia & Xinyu Zhang & Yongtao Zhao & Xintai Hao & Lanhai He & Chuncheng Wang & Dajun Ding & Xueguang Ren, 2022. "Triple ionization and fragmentation of benzene trimers following ultrafast intermolecular Coulombic decay," Nature Communications, Nature, vol. 13(1), pages 1-9, December.
    7. Susannah Holmes & Henry J. Kirkwood & Richard Bean & Klaus Giewekemeyer & Andrew V. Martin & Marjan Hadian-Jazi & Max O. Wiedorn & Dominik Oberthür & Hugh Marman & Luigi Adriano & Nasser Al-Qudami & S, 2022. "Megahertz pulse trains enable multi-hit serial femtosecond crystallography experiments at X-ray free electron lasers," Nature Communications, Nature, vol. 13(1), pages 1-13, December.
    8. Jincong Pang & Haodi Wu & Hao Li & Tong Jin & Jiang Tang & Guangda Niu, 2024. "Reconfigurable perovskite X-ray detector for intelligent imaging," Nature Communications, Nature, vol. 15(1), pages 1-9, December.
    9. Hirokatsu Yumoto & Takahisa Koyama & Akihiro Suzuki & Yasumasa Joti & Yoshiya Niida & Kensuke Tono & Yoshitaka Bessho & Makina Yabashi & Yoshinori Nishino & Haruhiko Ohashi, 2022. "High-fluence and high-gain multilayer focusing optics to enhance spatial resolution in femtosecond X-ray laser imaging," Nature Communications, Nature, vol. 13(1), pages 1-8, December.

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