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Biologische Systeme und Medizin Poster: Mi., 14:00–16:30 M-P213 Computational studies of radiation damage in protein crystals Melanie Zehnder 1 , Ivan Vartaniants 1 , Edgar Weckert 1 1 HASYLAB at DESY, Notkestrasse 85, 22607 Hamburg Radiation damage li<strong>mit</strong>s the achievable resolution and data quality received from protein crystals in X-ray structure analysis. For a better quantitative understanding the damage produced by inelastic interaction of photons in the crystal is studied. Inelastic scattering of photons and the produced electrons are investigated by a Monte - Carlo approach. Two types of inelastic interactions are possible, photoelectric effect and Compton scattering. For small energies up to 30 keV the photoelectric effect is dominant. For higher X-ray energies Compton scattering becomes dominant. The photo electron carries nearly all the energy of the incoming photon, which is absorbed in the crystal. In most cases a low energetic Auger electron is created afterwards. For Compton scattering an outer shell interaction takes place and most of the energy is carried out from the crystal by the high-energetic photon. Typically the Compton electron has a much lower energy comparing to that of the photo electron. Electrons produce a higher damage comparing to photons due to a higher inelastic cross section. The Monte Carlo approach simulates the very early stages of the damage (first few picoseconds). In the simulation programme the ionization and excitation of ions are simulated, but no bond braking or recombination is studied. Different energies (from the keV range up to 100 keV) and crystal sizes (from the nanometer scale up to hundred micrometer scale) were studied by this approach. The investigations were done to explore the best ratio between diffracted intensity and damage produced for the given chemical composition. It is evaluated from the number of ions produced by the incoming photon and the subsequent cascade. This value can be calculated either per inelastic photon or per elastic photon. The simulation gives also information on the spatial distribution, the number of excited atoms in the crystal and the time of interaction.
Abstracts: Poster Postersitzung B: Donnerstag, 5. 10. 2006, 13:00 - 15:30 Flügelbau ESA - West Magnetismus D-P214 – D-P266 Nanostrukturen und Grenzflächen D-P267 – D-P320 Weiche Materie D-P321 – D-P360 Flügelbau ESA - Ost Materie unter extremen Bedingungen D-P361 – D-P368 Materialien und Werkstoffe D-P369 – D-P411 Teilchen und Kerne D-P412 – D-P415
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Deutsche Tagung für Forschung mit
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Impressum: Herausgeber: A. Schreyer
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8:00 9:30 10:00 10:30 11:00 12:30 1
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Postersitzung A Mittwoch, 4. Oktobe
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Postersitzung B Donnerstag, 5. Okto
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12:30 - 13:35 Mittagspause Plenarsi
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Allgemeine Hinweise Tagungsort Die
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Lageplan Mensa Studierendenhaus (Ha
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Plenarvortrag Mi., 10:00-10:30 M-PV
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Plenarvortrag Mi., 17:00-17:30 M-PV
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Plenarvortrag Do., 13:00-15:30 D-PV
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Plenarvortrag Fr., 09:00-09:30 F-PV
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SNI für Neugierige Do., 15:30-16:0
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SNI für Neugierige Do., 16:30-17:0
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Senatsempfang Do., nach 18:00 D-AV1
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Mikroskopie und Tomographie Vortrag
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Mikroskopie und Tomographie Vortrag
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Dynamik Vortrag: Mi., 11:00-11:30 M
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Dynamik Vortrag: Mi., 11:50-12:10 M
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Nanostrukturen und Grenzflächen Vo
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Magnetismus Vortrag: Mi., 17:40-18:
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Magnetismus Vortrag: Mi., 18:20-18:
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Struktur Vortrag: Mi., 17:40-18:00
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Struktur Vortrag: Mi., 18:20-18:40
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Methoden und Instrumentierung Vortr
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Weiche Materie Vortrag: Do., 10:00-
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Materialien/Werkstoffe Vortrag: Do.
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Weiche Materie Vortrag: Fr., 10:00-
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Materialien/Werkstoffe Vortrag: Fr.
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Materialien/Werkstoffe Vortrag: Fr.
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Magnetismus Vortrag: Fr., 10:00-10:
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Biologische Systeme und Medizin Vor
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Chemische Prozesse und Phasenüberg
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Chemische Prozesse und Phasenüberg
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Methoden und Instrumentierung Poste
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Mikroskopie und Tomographie Poster:
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Struktur und Dynamik Poster: Mi., 1
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Magnetismus Poster: Do., 13:00-15:3
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Nanostrukturen und Grenzflächen Po
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Materie unter extremen Bedingungen
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Materialien/Werkstoffe Poster: Do.,
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Teilchen und Kerne Poster: Do., 13:
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Index Autoren und ihre Beiträge: u
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Index M-P98, M-P100, M-P101, M-P195
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Index Deák, L. D-P300 Decker, H. M
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Index Gavrila, G. D-P276 Gebhardt,
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Index Homeyer, J. D-P377, D-P389 Ho
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Index Kravtsov, E. D-P231, D-P252 K
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Index Mezei, F. M-P13, M-P22, D-V27
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Index Ponce, M.L. D-P214 Ponkratz,
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Index Schmidt, O. M-P132, M-P153 Sc
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Index Stürmer, D. D-P405 Stuermer,
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Index Wochner, P. F-V68 Woiterski,
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