Time-resolved serial crystallography captures high-resolution intermediates of photoactive yellow protein

Tenboer, Jason; Basu, Shibom; Zatsepin, Nadia A.; Pande, Kanupriya; Milathianaki, Despina; Frank, Matthias; Hunter, Mark S.; Boutet, Sébastien; Williams, Garth J.; Koglin, Jason E.; Oberthüer, D.; Heymann, Michaël; Kupitz, Christopher; Conrad, Chelsie E.; Coe, Jesse; Roy-Chowdhury, Shatabdi; Weierstall, Uwe; James, Daniel; Wang, Dingjie; Grant, Thomas D.; Barty, Anton; Yefanov, Oleksandr; Scales, Jennifer; Gati, Cornelius; Seuring, Carolin; Šrajer, V.; Henning, Robert H.; Schwander, Peter; Fromme, Raimund; Ourmazd, A.; Moffat, Keith; Thor, Jasper J. van; Spence, John C. H.; Fromme, Petra; Chapman, Henry N.; Schmidt, Marius

doi:10.1126/science.1259357

Cited by 427 publications

(439 citation statements)

References 55 publications

Supporting

Mentioning

423

Contrasting

Unclassified

Order By: Relevance

“…Acknowledgments: First and foremost, we are most grateful for all of the co-authors of [11,12,14,15] …”

Section: Resultsmentioning

confidence: 99%

“…Lasers have provided such an excitation source. The advent of free electron lasers (FELs) operating in the UV-and X-ray regime, however, opened up completely new avenues, providing access to tunable atomic inner-shell multiphoton excitation and ionization in femtosecond timescales [4][5][6][7][8][9][10][11]. In the present paper, we focus on the unimolecular dissociation reactions induced by intense femtosecond-range X-ray pulses of FEL radiation.…”

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Molecular Dynamics of XFEL-Induced Photo-Dissociation, Revealed by Ion-Ion Coincidence Measurements

et al. 2017

View full text Add to dashboard Cite

X-ray free electron lasers (XFELs) providing ultrashort intense pulses of X-rays have proven to be excellent tools to investigate the dynamics of radiation-induced dissociation and charge redistribution in molecules and nanoparticles. Coincidence techniques, in particular multi-ion time-of-flight (TOF) coincident experiments, can provide detailed information on the photoabsorption, charge generation, and Coulomb explosion events. Here we review several such recent experiments performed at the SPring-8 Angstrom Compact free electron LAser (SACLA) facility in Japan, with iodomethane, diiodomethane, and 5-iodouracil as targets. We demonstrate how to utilize the momentum-resolving capabilities of the ion TOF spectrometers to resolve and filter the coincidence data and extract various information essential in understanding the time evolution of the processes induced by the XFEL pulses.

show abstract

“…Acknowledgments: First and foremost, we are most grateful for all of the co-authors of [11,12,14,15] …”

Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Molecular Dynamics of XFEL-Induced Photo-Dissociation, Revealed by Ion-Ion Coincidence Measurements

et al. 2017

View full text Add to dashboard Cite

show abstract

“…3,4 This method is opening new doors in structural biology, yielding atomic resolution structures from micrometer-sized crystals and smaller, radiation sensitive protein crystals, [5][6][7][8][9][10] as well as, enabling experiments to study fast structural protein dynamics. [11][12][13][14][15] Considering the destructive nature of the pulses, data collection is optimized by a serial approach, where a new crystal is placed in the beam for each X-ray pulse. The Linac Coherent Light Source (LCLS) FEL has the fastest repetition rate of all currently operational hard X-ray FELs at 120 Hz, but a much faster 4.5 MHz bunch mode will be implemented at a) Current address: Department of Physics, Arizona State University, P.O.…”

Section: Introductionmentioning

confidence: 99%

Ceramic micro-injection molded nozzles for serial femtosecond crystallography sample delivery

Beyerlein

Adriano

Heymann

et al. 2015

Review of Scientific Instruments

View full text Add to dashboard Cite

Serial femtosecond crystallography (SFX) using X-ray Free-Electron Lasers (XFELs) allows for room temperature protein structure determination without evidence of conventional radiation damage. In this method, a liquid suspension of protein microcrystals can be delivered to the X-ray beam in vacuum as a micro-jet, which replenishes the crystals at a rate that exceeds the current XFEL pulse repetition rate. Gas dynamic virtual nozzles produce the required micrometer-sized streams by the focusing action of a coaxial sheath gas and have been shown to be effective for SFX experiments. Here, we describe the design and characterization of such nozzles assembled from ceramic micro-injection molded outer gas-focusing capillaries. Trends of the emitted jet diameter and jet length as a function of supplied liquid and gas flow rates are measured by a fast imaging system. The observed trends are explained by derived relationships considering choked gas flow and liquid flow conservation. Finally, the performance of these nozzles in a SFX experiment is presented, including an analysis of the observed background.

show abstract

“…One major application of XFEL radiation is the development of serial femtosecond crystallography (SFX). A proof-of-principle study first performed at low resolution using crystals of photosystem I (Chapman et al, 2011) was shortly afterwards extended to high resolution (Boutet et al, 2012) and has since been applied to time-resolved X-ray diffraction (Tenboer et al, 2014), the study of protein-protein receptor complexes (Kang et al, 2015) and de novo phasing (Barends et al, 2014). Serial crystallography has also since been applied to studies using synchrotron radiation (Nogly et al, 2015) and is expected to become a broadly applied method at storage ring based microfocus beamlines.…”

Section: Introductionmentioning

confidence: 99%

Asymmetry in serial femtosecond crystallography data

et al. 2017

View full text Add to dashboard Cite

Serial crystallography is an increasingly important approach to protein crystallography that exploits both X-ray free-electron laser (XFEL) and synchrotron radiation. Serial crystallography recovers complete X-ray diffraction data by processing and merging diffraction images from thousands of randomly oriented non-uniform microcrystals, of which all observations are partial Bragg reflections. Random fluctuations in the XFEL pulse energy spectrum, variations in the size and shape of microcrystals, integrating over millions of weak partial observations and instabilities in the XFEL beam position lead to new types of experimental errors. The quality of Bragg intensity estimates deriving from serial crystallography is therefore contingent upon assumptions made while modeling these data. Here it is observed that serial femtosecond crystallography (SFX) Bragg reflections do not follow a unimodal Gaussian distribution and it is recommended that an idealized assumption of single Gaussian peak profiles be relaxed to incorporate apparent asymmetries when processing SFX data. The phenomenon is illustrated by re-analyzing data collected from microcrystals of the Blastochloris viridis photosynthetic reaction center and comparing these intensity observations with conventional synchrotron data. The results show that skewness in the SFX observations captures the essence of the Wilson plot and an empirical treatment is suggested that can help to separate the diffraction Bragg intensity from the background.

show abstract

Time-resolved serial crystallography captures high-resolution intermediates of photoactive yellow protein

Cited by 427 publications

References 55 publications

Molecular Dynamics of XFEL-Induced Photo-Dissociation, Revealed by Ion-Ion Coincidence Measurements

Molecular Dynamics of XFEL-Induced Photo-Dissociation, Revealed by Ion-Ion Coincidence Measurements

Ceramic micro-injection molded nozzles for serial femtosecond crystallography sample delivery

Asymmetry in serial femtosecond crystallography data

Contact Info

Product

Resources

About