Femtosecond protein nanocrystallography- Data analysis methods

Link:
Autor/in:
Erscheinungsjahr:
2010
Medientyp:
Text
Schlagworte:
  • Crystallography
  • Free electron lasers
  • Crystallography SFX
  • Proteins
  • Molecular Dynamics Simulation
  • Molecular Dynamics
  • Crystallography
  • Free electron lasers
  • Crystallography SFX
  • Proteins
  • Molecular Dynamics Simulation
  • Molecular Dynamics
Beschreibung:
  • X-ray diffraction patterns may be obtained from individual submicron protein nanocrystals using a femtosecond pulse from a free-electron X-ray laser. Many “single-shot” patterns are read out every second from a stream of nanocrystals lying in random orientations. The short pulse terminates before significant atomic (or electronic) motion commences, minimizing radiation damage. Simulated patterns for Photosystem I nanocrystals are used to develop a method for recovering structure factors from tens of thousands of snapshot patterns from nanocrystals varying in size, shape and orientation. We determine the number of shots needed for a required accuracy in structure factor measurement and resolution, and investigate the convergence of our Monte-Carlo integration method.
Lizenz:
  • info:eu-repo/semantics/openAccess
Quellsystem:
Forschungsinformationssystem der UHH

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oai:www.edit.fis.uni-hamburg.de:publications/341e7be7-4eca-4100-9a46-a0c99b1f155d