Quantitative Analysis of Time-Resolved Laue Diffraction Patterns

Zhong Ren, N. G. Kingman, Gloria E.O. Borgstahl, Elizabeth D. Getzoff, Keith Moffat

Research output: Contribution to journalArticle

14 Citations (Scopus)

Abstract

Integration and quantification of time-resolved Laue images poses problems beyond those encountered with static Laue images. The flexible analytical profile-fitting technique [Ren & Moffat (1995). J. Appl. Cryst. 28, 461-481] has been extended to handle the integration of multiple-spot images with two or more exposures at different time points superimposed on a single detector frame but displaced by a small shift. Each Laue pattern on a multiple-spot image can be integrated separately; possible spatial overlaps between adjacent spots from either the same or different exposures can be resolved; streakiness and streakiness anisotropy are allowed to be different for each time point. Various strategies for time-resolved Laue diffraction data collection and processing are compared. Time-resolved Laue images obtained during the relaxation of photoactive yellow protein (PYP) from its photostationary state have been processed by the Laue data reduction package Laue View. Continuous laser illumination of PYP crystals establishes a photostationary state and termination of laser illumination starts a relaxation process. However, PYP crystals at the photostationary state are more anisotropically mosaic than those at the ground state, and the mosaicity and its anisotropy vary during the relaxation. Accurate integration of elongated and spatially overlapping spots therefore becomes more difficult. Two data processing strategies have been applied to calculate time-dependent difference Fourier maps of PYP. The first route takes advantage of both the wavelength normalization and the harmonic deconvolution [Ren & Moffat (1995). J. Appl. Cryst. 28, 461-481, 482-493] algorithms. The second is the method of relative percentage changes of structure-factor amplitudes.

Original languageEnglish (US)
Pages (from-to)246-260
Number of pages15
JournalJournal of Applied Crystallography
Volume29
Issue number3
DOIs
StatePublished - Jun 1 1996

Fingerprint

Diffraction patterns
quantitative analysis
diffraction patterns
Chemical analysis
proteins
Proteins
Anisotropy
Lighting
Crystals
Lasers
Relaxation processes
Deconvolution
illumination
Ground state
Data reduction
anisotropy
Diffraction
data reduction
Detectors
Wavelength

ASJC Scopus subject areas

  • Biochemistry, Genetics and Molecular Biology(all)

Cite this

Quantitative Analysis of Time-Resolved Laue Diffraction Patterns. / Ren, Zhong; Kingman, N. G.; Borgstahl, Gloria E.O.; Getzoff, Elizabeth D.; Moffat, Keith.

In: Journal of Applied Crystallography, Vol. 29, No. 3, 01.06.1996, p. 246-260.

Research output: Contribution to journalArticle

Ren, Zhong ; Kingman, N. G. ; Borgstahl, Gloria E.O. ; Getzoff, Elizabeth D. ; Moffat, Keith. / Quantitative Analysis of Time-Resolved Laue Diffraction Patterns. In: Journal of Applied Crystallography. 1996 ; Vol. 29, No. 3. pp. 246-260.
@article{0a251cc7abf643cf8c680a2f2fab81e6,
title = "Quantitative Analysis of Time-Resolved Laue Diffraction Patterns",
abstract = "Integration and quantification of time-resolved Laue images poses problems beyond those encountered with static Laue images. The flexible analytical profile-fitting technique [Ren & Moffat (1995). J. Appl. Cryst. 28, 461-481] has been extended to handle the integration of multiple-spot images with two or more exposures at different time points superimposed on a single detector frame but displaced by a small shift. Each Laue pattern on a multiple-spot image can be integrated separately; possible spatial overlaps between adjacent spots from either the same or different exposures can be resolved; streakiness and streakiness anisotropy are allowed to be different for each time point. Various strategies for time-resolved Laue diffraction data collection and processing are compared. Time-resolved Laue images obtained during the relaxation of photoactive yellow protein (PYP) from its photostationary state have been processed by the Laue data reduction package Laue View. Continuous laser illumination of PYP crystals establishes a photostationary state and termination of laser illumination starts a relaxation process. However, PYP crystals at the photostationary state are more anisotropically mosaic than those at the ground state, and the mosaicity and its anisotropy vary during the relaxation. Accurate integration of elongated and spatially overlapping spots therefore becomes more difficult. Two data processing strategies have been applied to calculate time-dependent difference Fourier maps of PYP. The first route takes advantage of both the wavelength normalization and the harmonic deconvolution [Ren & Moffat (1995). J. Appl. Cryst. 28, 461-481, 482-493] algorithms. The second is the method of relative percentage changes of structure-factor amplitudes.",
author = "Zhong Ren and Kingman, {N. G.} and Borgstahl, {Gloria E.O.} and Getzoff, {Elizabeth D.} and Keith Moffat",
year = "1996",
month = "6",
day = "1",
doi = "10.1107/S0021889896000659",
language = "English (US)",
volume = "29",
pages = "246--260",
journal = "Journal of Applied Crystallography",
issn = "0021-8898",
publisher = "International Union of Crystallography",
number = "3",

}

TY - JOUR

T1 - Quantitative Analysis of Time-Resolved Laue Diffraction Patterns

AU - Ren, Zhong

AU - Kingman, N. G.

AU - Borgstahl, Gloria E.O.

AU - Getzoff, Elizabeth D.

AU - Moffat, Keith

PY - 1996/6/1

Y1 - 1996/6/1

N2 - Integration and quantification of time-resolved Laue images poses problems beyond those encountered with static Laue images. The flexible analytical profile-fitting technique [Ren & Moffat (1995). J. Appl. Cryst. 28, 461-481] has been extended to handle the integration of multiple-spot images with two or more exposures at different time points superimposed on a single detector frame but displaced by a small shift. Each Laue pattern on a multiple-spot image can be integrated separately; possible spatial overlaps between adjacent spots from either the same or different exposures can be resolved; streakiness and streakiness anisotropy are allowed to be different for each time point. Various strategies for time-resolved Laue diffraction data collection and processing are compared. Time-resolved Laue images obtained during the relaxation of photoactive yellow protein (PYP) from its photostationary state have been processed by the Laue data reduction package Laue View. Continuous laser illumination of PYP crystals establishes a photostationary state and termination of laser illumination starts a relaxation process. However, PYP crystals at the photostationary state are more anisotropically mosaic than those at the ground state, and the mosaicity and its anisotropy vary during the relaxation. Accurate integration of elongated and spatially overlapping spots therefore becomes more difficult. Two data processing strategies have been applied to calculate time-dependent difference Fourier maps of PYP. The first route takes advantage of both the wavelength normalization and the harmonic deconvolution [Ren & Moffat (1995). J. Appl. Cryst. 28, 461-481, 482-493] algorithms. The second is the method of relative percentage changes of structure-factor amplitudes.

AB - Integration and quantification of time-resolved Laue images poses problems beyond those encountered with static Laue images. The flexible analytical profile-fitting technique [Ren & Moffat (1995). J. Appl. Cryst. 28, 461-481] has been extended to handle the integration of multiple-spot images with two or more exposures at different time points superimposed on a single detector frame but displaced by a small shift. Each Laue pattern on a multiple-spot image can be integrated separately; possible spatial overlaps between adjacent spots from either the same or different exposures can be resolved; streakiness and streakiness anisotropy are allowed to be different for each time point. Various strategies for time-resolved Laue diffraction data collection and processing are compared. Time-resolved Laue images obtained during the relaxation of photoactive yellow protein (PYP) from its photostationary state have been processed by the Laue data reduction package Laue View. Continuous laser illumination of PYP crystals establishes a photostationary state and termination of laser illumination starts a relaxation process. However, PYP crystals at the photostationary state are more anisotropically mosaic than those at the ground state, and the mosaicity and its anisotropy vary during the relaxation. Accurate integration of elongated and spatially overlapping spots therefore becomes more difficult. Two data processing strategies have been applied to calculate time-dependent difference Fourier maps of PYP. The first route takes advantage of both the wavelength normalization and the harmonic deconvolution [Ren & Moffat (1995). J. Appl. Cryst. 28, 461-481, 482-493] algorithms. The second is the method of relative percentage changes of structure-factor amplitudes.

UR - http://www.scopus.com/inward/record.url?scp=0039126743&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0039126743&partnerID=8YFLogxK

U2 - 10.1107/S0021889896000659

DO - 10.1107/S0021889896000659

M3 - Article

AN - SCOPUS:0039126743

VL - 29

SP - 246

EP - 260

JO - Journal of Applied Crystallography

JF - Journal of Applied Crystallography

SN - 0021-8898

IS - 3

ER -