Direct phasing in femtosecond nanocrystallography. I. Diffraction characteristics

Joe P J Chen, John Spence, Rick P. Millane

    Research output: Contribution to journalArticle

    12 Citations (Scopus)

    Abstract

    X-ray free-electron lasers solve a number of difficulties in protein crystallography by providing intense but ultra-short pulses of X-rays, allowing collection of useful diffraction data from nanocrystals. Whereas the diffraction from large crystals corresponds only to samples of the Fourier amplitude of the molecular transform at the Bragg peaks, diffraction from very small crystals allows measurement of the diffraction amplitudes between the Bragg samples. Although highly attenuated, these additional samples offer the possibility of iterative phase retrieval without the use of ancillary experimental data [Spence et al. (2011). Opt. Express, 19, 2866-2873]. This first of a series of two papers examines in detail the characteristics of diffraction patterns from collections of nanocrystals, estimation of the molecular transform and the noise characteristics of the measurements. The second paper [Chen et al. (2014). Acta Cryst. A70, 154-161] examines iterative phase-retrieval methods for reconstructing molecular structures in the presence of the variable noise levels in such data.

    Original languageEnglish (US)
    Pages (from-to)143-153
    Number of pages11
    JournalActa Crystallographica Section A: Foundations and Advances
    Volume70
    Issue number2
    DOIs
    StatePublished - 2014

    Fingerprint

    Nanoparticles
    Noise
    Diffraction
    X-Rays
    Crystallography
    Molecular Structure
    diffraction
    Nanocrystals
    retrieval
    nanocrystals
    Lasers
    Electrons
    X ray lasers
    Crystals
    Free electron lasers
    Ultrashort pulses
    free electron lasers
    Diffraction patterns
    Molecular structure
    crystallography

    Keywords

    • Direct phasing
    • Femtosecond nanocrystallography
    • Nanocrystals
    • Shape transform
    • X-ray free-electron lasers

    ASJC Scopus subject areas

    • Structural Biology
    • Biochemistry
    • Inorganic Chemistry
    • Physical and Theoretical Chemistry
    • Materials Science(all)
    • Condensed Matter Physics

    Cite this

    Direct phasing in femtosecond nanocrystallography. I. Diffraction characteristics. / Chen, Joe P J; Spence, John; Millane, Rick P.

    In: Acta Crystallographica Section A: Foundations and Advances, Vol. 70, No. 2, 2014, p. 143-153.

    Research output: Contribution to journalArticle

    @article{d21ea097ceb541709aaa4455979040df,
    title = "Direct phasing in femtosecond nanocrystallography. I. Diffraction characteristics",
    abstract = "X-ray free-electron lasers solve a number of difficulties in protein crystallography by providing intense but ultra-short pulses of X-rays, allowing collection of useful diffraction data from nanocrystals. Whereas the diffraction from large crystals corresponds only to samples of the Fourier amplitude of the molecular transform at the Bragg peaks, diffraction from very small crystals allows measurement of the diffraction amplitudes between the Bragg samples. Although highly attenuated, these additional samples offer the possibility of iterative phase retrieval without the use of ancillary experimental data [Spence et al. (2011). Opt. Express, 19, 2866-2873]. This first of a series of two papers examines in detail the characteristics of diffraction patterns from collections of nanocrystals, estimation of the molecular transform and the noise characteristics of the measurements. The second paper [Chen et al. (2014). Acta Cryst. A70, 154-161] examines iterative phase-retrieval methods for reconstructing molecular structures in the presence of the variable noise levels in such data.",
    keywords = "Direct phasing, Femtosecond nanocrystallography, Nanocrystals, Shape transform, X-ray free-electron lasers",
    author = "Chen, {Joe P J} and John Spence and Millane, {Rick P.}",
    year = "2014",
    doi = "10.1107/S2053273313032038",
    language = "English (US)",
    volume = "70",
    pages = "143--153",
    journal = "Acta Crystallographica Section A: Foundations and Advances",
    issn = "0108-7673",
    publisher = "John Wiley and Sons Inc.",
    number = "2",

    }

    TY - JOUR

    T1 - Direct phasing in femtosecond nanocrystallography. I. Diffraction characteristics

    AU - Chen, Joe P J

    AU - Spence, John

    AU - Millane, Rick P.

    PY - 2014

    Y1 - 2014

    N2 - X-ray free-electron lasers solve a number of difficulties in protein crystallography by providing intense but ultra-short pulses of X-rays, allowing collection of useful diffraction data from nanocrystals. Whereas the diffraction from large crystals corresponds only to samples of the Fourier amplitude of the molecular transform at the Bragg peaks, diffraction from very small crystals allows measurement of the diffraction amplitudes between the Bragg samples. Although highly attenuated, these additional samples offer the possibility of iterative phase retrieval without the use of ancillary experimental data [Spence et al. (2011). Opt. Express, 19, 2866-2873]. This first of a series of two papers examines in detail the characteristics of diffraction patterns from collections of nanocrystals, estimation of the molecular transform and the noise characteristics of the measurements. The second paper [Chen et al. (2014). Acta Cryst. A70, 154-161] examines iterative phase-retrieval methods for reconstructing molecular structures in the presence of the variable noise levels in such data.

    AB - X-ray free-electron lasers solve a number of difficulties in protein crystallography by providing intense but ultra-short pulses of X-rays, allowing collection of useful diffraction data from nanocrystals. Whereas the diffraction from large crystals corresponds only to samples of the Fourier amplitude of the molecular transform at the Bragg peaks, diffraction from very small crystals allows measurement of the diffraction amplitudes between the Bragg samples. Although highly attenuated, these additional samples offer the possibility of iterative phase retrieval without the use of ancillary experimental data [Spence et al. (2011). Opt. Express, 19, 2866-2873]. This first of a series of two papers examines in detail the characteristics of diffraction patterns from collections of nanocrystals, estimation of the molecular transform and the noise characteristics of the measurements. The second paper [Chen et al. (2014). Acta Cryst. A70, 154-161] examines iterative phase-retrieval methods for reconstructing molecular structures in the presence of the variable noise levels in such data.

    KW - Direct phasing

    KW - Femtosecond nanocrystallography

    KW - Nanocrystals

    KW - Shape transform

    KW - X-ray free-electron lasers

    UR - http://www.scopus.com/inward/record.url?scp=84902679815&partnerID=8YFLogxK

    UR - http://www.scopus.com/inward/citedby.url?scp=84902679815&partnerID=8YFLogxK

    U2 - 10.1107/S2053273313032038

    DO - 10.1107/S2053273313032038

    M3 - Article

    VL - 70

    SP - 143

    EP - 153

    JO - Acta Crystallographica Section A: Foundations and Advances

    JF - Acta Crystallographica Section A: Foundations and Advances

    SN - 0108-7673

    IS - 2

    ER -