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Protein structure determination by single-wavelength anomalous diffraction phasing of X-ray free-electron laser data.

ABSTRACT: Serial femtosecond crystallography (SFX) at X-ray free-electron lasers (XFELs) offers unprecedented possibilities for macromolecular structure determination of systems that are prone to radiation damage. However, phasing XFEL data de novo is complicated by the inherent inaccuracy of SFX data, and only a few successful examples, mostly based on exceedingly strong anomalous or isomorphous difference signals, have been reported. Here, it is shown that SFX data from thaumatin microcrystals can be successfully phased using only the weak anomalous scattering from the endogenous S atoms. Moreover, a step-by-step investigation is presented of the particular problems of SAD phasing of SFX data, analysing data from a derivative with a strong anomalous signal as well as the weak signal from endogenous S atoms.

SUBMITTER: Nass K

PROVIDER: S-EPMC4856140 | biostudies-literature | 2016 May

REPOSITORIES: biostudies-literature

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Protein structure determination by single-wavelength anomalous diffraction phasing of X-ray free-electron laser data.

Nass Karol K Meinhart Anton A Barends Thomas R M TR Foucar Lutz L Gorel Alexander A Aquila Andrew A Botha Sabine S Doak R Bruce RB Koglin Jason J Liang Mengning M Shoeman Robert L RL Williams Garth G Boutet Sebastien S Schlichting Ilme I

IUCrJ 20160309 Pt 3

Serial femtosecond crystallography (SFX) at X-ray free-electron lasers (XFELs) offers unprecedented possibilities for macromolecular structure determination of systems that are prone to radiation damage. However, phasing XFEL data de novo is complicated by the inherent inaccuracy of SFX data, and only a few successful examples, mostly based on exceedingly strong anomalous or isomorphous difference signals, have been reported. Here, it is shown that SFX data from thaumatin microcrystals can be su ...[more]

PMID: 27158504

Dataset Information

Protein structure determination by single-wavelength anomalous diffraction phasing of X-ray free-electron laser data.

Publications

Protein structure determination by single-wavelength anomalous diffraction phasing of X-ray free-electron laser data.

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