Additional file 1: of Enzyme intermediates captured “on the fly” by mix-and-inject serial crystallography

  • Yun Zhao (Contributor)
  • Nadia Zatsepin (Arizona State University) (Contributor)
  • Stephan Stern (Contributor)
  • Jose M. Martin-Garcia (Contributor)
  • A. Ourmazd (Contributor)
  • James D. Zook (Contributor)
  • Thomas Grant (Contributor)
  • J. Knoska (Contributor)
  • M. Wiedorn (Contributor)
  • Henry N. Chapman (Contributor)
  • G. Nelson (Contributor)
  • Ganesh Subramanian (Contributor)
  • Anton Barty (Contributor)
  • Christopher Kupitz (Contributor)
  • Uwe Weierstall (Contributor)
  • John Spence (Arizona State University) (Contributor)
  • Mark R. Holl (Contributor)
  • Michael Heyman (Contributor)
  • Mark S. Hunter (Contributor)
  • Sasa Bajt (Contributor)
  • Dominik Oberthuer (Contributor)
  • Thomas A. White (Contributor)
  • Nirupa Nagaratnam (Contributor)
  • Marius Schmidt (Contributor)
  • Suraj Pandey (Contributor)
  • Mitchell D. Miller (Contributor)
  • George N. Phillips (Contributor)
  • George Calvey (Contributor)
  • J. E. Koglin (Contributor)
  • Euiyoung Bae (Contributor)
  • M. H. Seaberg (Contributor)
  • Valerio Mariani (Contributor)
  • Petra Fromme (Contributor)
  • Oleksandr M. Yefanov (Contributor)
  • Russell Fung (Contributor)
  • Ishwor Poudyal (Contributor)
  • Lois Pollack (Contributor)
  • Andrea Katz (Contributor)
  • Shatabdi Roy-Chowdhury (Contributor)
  • Jacob Verburgt (Contributor)
  • Peter Schwander (Contributor)
  • Raimund Fromme (Contributor)
  • Lee Tremblay (Contributor)
  • Jesse Coe (Contributor)
  • David Xu (Contributor)
  • Tyler Norwood (Contributor)
  • Jose L. Olmos (Contributor)
  • Mengning Liang (Contributor)
  • Matthias Frank (Contributor)
  • Kanupriya Pande (Contributor)

Dataset

Description

Figure S1. Schematics of the short-time-point mixing injector. Figure S2. Selected views of the CEF binding site in the BlaC shard crystals including simulated annealing omit maps. Figure S3. Structural details, and simulated annealing omit maps, shard crystal form, subunit B (stereo representation, from 30 ms to 2 s). Figure S4. Structural details and simulated annealing omit maps, shard crystal form, subunit D (stereo representation, from 30 ms to 2 s). Figure S5. Structural details, and simulated annealing omit maps, needle crystal form (stereo representation, from 30 ms to 2 s). Figure S6. Backside view of the catalytic cleft of BlaC in the shard crystal form, structural details and simulated annealing omit maps (stereo representation, selected time points). Figure S7. 2mFo-DFc electron density in the catalytic clefts of BlaC in the shard crystal form (stereo representation, from 30 ms to 2 s). Figure S8. 2mFo-DFc electron density and structural details in the catalytic clefts of BlaC in the needle crystal form (stereo representation from 30 ms to 2 s). Figure S9. Details in the catalytic cleft of subunit B in the shard crystal form at 500 ms including the stacked CEF, 2FoFc maps, and simulated annealing omit maps (stereo representation). Figure S10. The catalytic cleft of BlaC, further details, including a difference map between the 500 ms and 100 ms time points. Figure S11. Crystal packing in shards and needles. Figure S12. Dynamic light scattering results. Table S1. B-factors for CEF species observed in the shard crystals at different time delays. (PDF 1646 kb)
Date made availableMay 31 2018
Publisherfigshare Academic Research System
  • Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography

    Olmos, J. L., Pandey, S., Martin-Garcia, J. M., Calvey, G., Katz, A., Knoska, J., Kupitz, C., Hunter, M. S., Liang, M., Oberthuer, D., Yefanov, O., Wiedorn, M., Heyman, M., Holl, M., Pande, K., Barty, A., Miller, M. D., Stern, S., Roy-Chowdhury, S., Coe, J., & 30 othersNagaratnam, N., Zook, J., Verburgt, J., Norwood, T., Poudyal, I., Xu, D., Koglin, J., Seaberg, M. H., Zhao, Y., Bajt, S., Grant, T., Mariani, V., Nelson, G., Subramanian, G., Bae, E., Fromme, R., Fung, R., Schwander, P., Frank, M., White, T. A., Weierstall, U., Zatsepin, N., Spence, J., Fromme, P., Chapman, H. N., Pollack, L., Tremblay, L., Ourmazd, A., Phillips, G. N. & Schmidt, M., May 31 2018, In: BMC Biology. 16, 1, 59.

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