TY - JOUR
T1 - Indications of radiation damage in ferredoxin microcrystals using high-intensity X-FEL beams
AU - Nass, Karol
AU - Foucar, Lutz
AU - Barends, Thomas R.M.
AU - Hartmann, Elisabeth
AU - Botha, Sabine
AU - Shoeman, Robert L.
AU - Doak, R. Bruce
AU - Alonso-Mori, Roberto
AU - Aquila, Andrew
AU - Bajt, Saša
AU - Barty, Anton
AU - Bean, Richard
AU - Beyerlein, Kenneth R.
AU - Bublitz, Maike
AU - Drachmann, Nikolaj
AU - Gregersen, Jonas
AU - Jönsson, H. Olof
AU - Kabsch, Wolfgang
AU - Kassemeyer, Stephan
AU - Koglin, Jason E.
AU - Krumrey, Michael
AU - Mattle, Daniel
AU - Messerschmidt, Marc
AU - Nissen, Poul
AU - Reinhard, Linda
AU - Sitsel, Oleg
AU - Sokaras, Dimosthenis
AU - Williams, Garth J.
AU - Hau-Riege, Stefan
AU - Timneanu, Nicusor
AU - Caleman, Carl
AU - Chapman, Henry N.
AU - Boutet, Sébastien
AU - Schlichting, Ilme
N1 - Publisher Copyright:
© 2015 International Union of Crystallography.
PY - 2015/3/1
Y1 - 2015/3/1
N2 - Proteins that contain metal cofactors are expected to be highly radiation sensitive since the degree of X-ray absorption correlates with the presence of high-atomic-number elements and X-ray energy. To explore the effects of local damage in serial femtosecond crystallography (SFX), Clostridium ferredoxin was used as a model system. The protein contains two [4Fe-4S] clusters that serve as sensitive probes for radiation-induced electronic and structural changes. High-dose room-temperature SFX datasets were collected at the Linac Coherent Light Source of ferredoxin microcrystals. Difference electron density maps calculated from high-dose SFX and synchrotron data show peaks at the iron positions of the clusters, indicative of decrease of atomic scattering factors due to ionization. The electron density of the two [4Fe-4S] clusters differs in the FEL data, but not in the synchrotron data. Since the clusters differ in their detailed architecture, this observation is suggestive of an influence of the molecular bonding and geometry on the atomic displacement dynamics following initial photoionization. The experiments are complemented by plasma code calculations.
AB - Proteins that contain metal cofactors are expected to be highly radiation sensitive since the degree of X-ray absorption correlates with the presence of high-atomic-number elements and X-ray energy. To explore the effects of local damage in serial femtosecond crystallography (SFX), Clostridium ferredoxin was used as a model system. The protein contains two [4Fe-4S] clusters that serve as sensitive probes for radiation-induced electronic and structural changes. High-dose room-temperature SFX datasets were collected at the Linac Coherent Light Source of ferredoxin microcrystals. Difference electron density maps calculated from high-dose SFX and synchrotron data show peaks at the iron positions of the clusters, indicative of decrease of atomic scattering factors due to ionization. The electron density of the two [4Fe-4S] clusters differs in the FEL data, but not in the synchrotron data. Since the clusters differ in their detailed architecture, this observation is suggestive of an influence of the molecular bonding and geometry on the atomic displacement dynamics following initial photoionization. The experiments are complemented by plasma code calculations.
KW - SFX
KW - free-electron laser
KW - metalloprotein Includes papers presented at the 8th International Workshop on X-ray Radiation Damage to Biological Crystalline Samples
KW - protein crystallography
KW - radiation damage
KW - serial femtosecond crystallography
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U2 - 10.1107/S1600577515002349
DO - 10.1107/S1600577515002349
M3 - Conference article
C2 - 25723924
AN - SCOPUS:84924228786
SN - 0909-0495
VL - 22
SP - 225
EP - 238
JO - Journal of synchrotron radiation
JF - Journal of synchrotron radiation
IS - 2
T2 - 8th International Workshop on X-ray Radiation Damage to Biological Crystalline Samples
Y2 - 10 April 2014 through 12 April 2014
ER -