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

AN - SCOPUS:84902679815

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 -