MBI Colloquium

MBI Colloquium

Wednesday, 22. January 2020 // 14.00


Max-Born-Straße 2a, 12489 Berlin

Logo: MBI

Ultrafast X-ray crystallography and ultrafast structural optical crystallography of nuclear and electronic protein dynamics

Prof. Dr. Jasper van Thor
Imperial College London

Both nuclear and electronic dynamics contribute to protein function and need multiple and complementary techniques to reveal their ultrafast structural dynamics response. Real-space information obtained from the measurement of electron density dynamics by X-ray crystallography provides aspects of both, while the molecular physics of coherence parameters and frequency-frequency correlation needs spectroscopy methods. Ultrafast pump-probe applications of protein dynamics in crystals provide real-space information through direct X-ray crystallographic structure analysis or through structural optical crystallographic analysis. Recent development of methods of analysis for ultrafast macromolecular X-ray crystallography and ultrafast non-linear structural optical crystallography will be presented.

The current and future high repetition rate capabilities provided by XFELs for ultrafast diffraction studies provide opportunities for optical control and optical selection of nuclear coherence which may develop to access higher frequency dynamics through improvements of sensitivity and time resolution to reveal coherence directly. Specific selection of electronic coherence requires optical probes, which can provide real-space structural information through photoselection of oriented samples and specifically in birefringent crystals. Ultrafast structural optical crystallography of photosynthetic energy transfer has been demonstrated and the theory of two-dimensional structural optical crystallography has shown a method for accessing the structural selection of electronic coherence.

Selected recent references:

  • van Thor JJ (2019): Advances and opportunities in ultrafast X-ray crystallography and ultrafast structural optical crystallography of nuclear and electronic protein dynamics
    Structural Dynamics, Vol: 6, 050901. dx.doi.org/10.1063/1.5110685
  • Hutchison CDM, van Thor JJ (2019): Optical Control, selection and analysis of population dynamics in Ultrafast protein X-ray crystallography
    Philosophical Transactions A: Mathematical, Physical and Engineering Sciences, Vol: 377, Pages: 20170474-20170474. dx.doi.org/10.1098/rsta.2017.0474
  • van Thor JJ (2019): Coherent two-dimensional electronic and infrared crystallography
    The Journal of Chemical Physics, 150; 124113. dx.doi.org/10.1063/1.5079319
  • Sanchez-Gonzalez A, Johnson AS, Fitzpatrick A, Hutchison CDM, Fare C, Cordon-Preciado V, Dorlhiac G, Ferreira JL, Morgan RM, Marangos JP, Owada S, Nakane T, Tanaka R, Tono K, Iwata S, van Thor JJ (2017): Coincidence timing of femtosecond optical pulses in an X-ray free electron laser
    Journal of Applied Physics, Vol: 122, ISSN: 0021-8979. doi.org/10.1063/1.5012749
  • Hutchison CDM, et al. (2017): X-ray Free Electron Laser Determination of Crystal Structures of Dark and Light States of a Reversibly Photoswitching Fluorescent Protein at Room Temperature
    Int. J. Mol. Sci. 2017, 18(9), 1918; doi.org/10.3390/ijms18091918
  • Pande K, et al. (2016): Femtosecond structural dynamics drives the trans/cis isomerization in photoactive yellow protein
    SCIENCE, Vol: 352, Pages: 725-729. dx.doi.org/10.1126/science.aad5081