Dose, exposure time, and resolution in Serial X-ray Crystallography Page: 3 of 37
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Dose, exposure time, and resolution in Serial X-ray Crystallography.
D. Starodub,a* P. Rez,a G. Hembree,a M. Howells,b D. Shapiro,b H. N. Chapman,
P. Fromme,d K. Schmidta U. Weierstalla R. B. Doak a J. C. H. Spencea
aDepartment of Physics, Arizona State University, P.O. Box 871504 Tempe, Arizona
85287-1504, USA, bAdvanced Light Source, Lawrence Berkeley National Laboratory,
Berkeley, California 94720, USA, Lawrence Livermore National Laboratory, 7000 East
Avenue, Livermore, California 94550, USA, dDepartment of Chemistry and Biochemistry,
Arizona State University, P.O. Box 871604 Tempe, Arizona 85287-1604, USA. E-mail:
Using detailed simulation and analytical models, the exposure time is estimated for serial
crystallography, where hydrated laser-aligned proteins are sprayed across a continuous
The resolution of X-ray diffraction microscopy is limited by the maximum dose that can be
delivered prior to sample damage. In the proposed Serial Crystallography method, the damage
problem is addressed by distributing the total dose over many identical hydrated macromolecules
running continuously in a single-file train across a continuous X-ray beam, and resolution is then
limited only by the available fluxes of molecules and X-rays. Orientation of the diffracting
molecules is achieved by laser alignment. We evaluate the incident X-ray fluence (energy/area)
required to obtain a given resolution from (1) an analytical model, giving the count rate at the
maximum scattering angle for a model protein, (2) explicit simulation of diffraction patterns for
a GroEL-GroES protein complex, and (3) the frequency cut off of the transfer function
following iterative solution of the phase problem, and reconstruction of a density map in the
projection approximation. These calculations include counting shot noise and multiple starts of
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Starodub, D; Rez, P; Hembree, G; Howells, M; Shapiro, D; Chapman, H N et al. Dose, exposure time, and resolution in Serial X-ray Crystallography, article, March 22, 2007; Livermore, California. (digital.library.unt.edu/ark:/67531/metadc1013731/m1/3/: accessed January 16, 2019), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.