title: Anomalous signal from S atoms in protein crystallographic data from an X-ray free-electron laser.
abstract: X-ray free-electron lasers (FELs) enable crystallographic data collection using extremely bright femtosecond pulses from microscopic crystals beyond the limitations of conventional radiation damage. This diffraction-before-destruction approach requires a new crystal for each FEL shot and, since the crystals cannot be rotated during the X-ray pulse, data collection requires averaging over many different crystals and a Monte Carlo integration of the diffraction intensities, making the accurate determination of structure factors challenging. To investigate whether sufficient accuracy can be attained for the measurement of anomalous signal, a large data set was collected from lysozyme microcrystals at the newly established `multi-purpose spectroscopy/imaging instrument' of the SPring-8 Ångstrom Compact Free-Electron Laser (SACLA) at RIKEN Harima. Anomalous difference density maps calculated from these data demonstrate that serial femtosecond crystallography using a free-electron laser is sufficiently accurate to measure even the very weak anomalous signal of naturally occurring S atoms in a protein at a photon energy of 7.3 keV.
authors: Max-Planck-Institut für medizinische Forschung, Jahnstrasse 29, 69120 Heidelberg, Germany. thomas.barends@mpimf-heidelberg.mpg.de
authors: Thomas R M
authors: TR
authors: Barends
authors: Lutz
authors: L
authors: Foucar
authors: Robert L
authors: RL
authors: Shoeman
authors: Sadia
authors: S
authors: Bari
authors: Sascha W
authors: SW
authors: Epp
authors: Robert
authors: R
authors: Hartmann
authors: Gunter
authors: G
authors: Hauser
authors: Martin
authors: M
authors: Huth
authors: Christian
authors: C
authors: Kieser
authors: Lukas
authors: L
authors: Lomb
authors: Koji
authors: K
authors: Motomura
authors: Kiyonobu
authors: K
authors: Nagaya
authors: Carlo
authors: C
authors: Schmidt
authors: Rafael
authors: R
authors: Strecker
authors: Denis
authors: D
authors: Anielski
authors: Rebecca
authors: R
authors: Boll
authors: Benjamin
authors: B
authors: Erk
authors: Hironobu
authors: H
authors: Fukuzawa
authors: Elisabeth
authors: E
authors: Hartmann
authors: Takaki
authors: T
authors: Hatsui
authors: Peter
authors: P
authors: Holl
authors: Yuichi
authors: Y
authors: Inubushi
authors: Tetsuya
authors: T
authors: Ishikawa
authors: Stephan
authors: S
authors: Kassemeyer
authors: Christian
authors: C
authors: Kaiser
authors: Frank
authors: F
authors: Koeck
authors: Naoki
authors: N
authors: Kunishima
authors: Moritz
authors: M
authors: Kurka
authors: Daniel
authors: D
authors: Rolles
authors: Benedikt
authors: B
authors: Rudek
authors: Artem
authors: A
authors: Rudenko
authors: Takahiro
authors: T
authors: Sato
authors: Claus Dieter
authors: CD
authors: Schroeter
authors: Heike
authors: H
authors: Soltau
authors: Lothar
authors: L
authors: Strueder
authors: Tomoyuki
authors: T
authors: Tanaka
authors: Tadashi
authors: T
authors: Togashi
authors: Kensuke
authors: K
authors: Tono
authors: Joachim
authors: J
authors: Ullrich
authors: Satoshi
authors: S
authors: Yase
authors: Shin Ichi
authors: SI
authors: Wada
authors: Makoto
authors: M
authors: Yao
authors: Makina
authors: M
authors: Yabashi
authors: Kiyoshi
authors: K
authors: Ueda
authors: Ilme
authors: I
authors: Schlichting
mesh_terms: D018360:Crystallography, X-Ray / Q000295:instrumentation / Q000379:methods*; D003545:Cysteine / Q000737:chemistry; D007834:Lasers; D008958:Models, Molecular; D009113:Muramidase / Q000737:chemistry; D011487:Protein Conformation; D013455:Sulfur / Q000737:chemistry*
chemical_list: D013455:Sulfur; D009113:Muramidase; D003545:Cysteine
keywords: anomalous diffraction; free-electron lasers; protein crystallography