Advances and challenges in time-resolved macromolecular crystallography

Science ◽  
2021 ◽  
Vol 373 (6558) ◽  
Author(s):  
Gisela Brändén ◽  
Richard Neutze
Keyword(s):  
Macromolecular Crystallography ◽  
Time Resolved

scholarly journals Synchrotron radiation macromolecular crystallography: our science and spin offs

2014 ◽  
Vol 70 (a1) ◽  
pp. C10-C10
Author(s):  
John Helliwell
Keyword(s):  
Synchrotron Radiation ◽  
Protein Complexes ◽  
Bound Water ◽  
Water Structure ◽  
Public Understanding ◽  
Anomalous Scattering ◽  
Structural Studies ◽  
Macromolecular Crystallography ◽  
Time Resolved ◽  
Chemical Crystallography

I will give an overview of synchrotron radiation (SR) in macromolecular crystallography (MX) instrumentation, methods and applications from the early days to the present, including the evolution of SR sources and on to the `ultimate storage ring'. The build of dedicated beamlines for resonant anomalous scattering, large unit cells, ever smaller crystals and studies up to ultra-high resolution are core benefits. Results include a high output of PDB depositions, the successful use of microcrystals, pushing the frontiers of using high and low photon energies and time-resolved structural studies at even sub-nanosecond resolutions. These intensively physics based developments will be complemented by biological and chemical crystallography research results, encompassing catalysis and marine coloration, as well as the public understanding of our science and its impacts. Spin off benefits include services to the pharmaceutical industry and helping develop chemical crystallography uses of SR. The development of the Laue method with SR has led to pioneering spin off developments in neutron MX, including transfer of the well validated Daresbury Laue software to various neutron facilities worldwide. Neutron MX is gathering pace as new instrumentation and dedicated sample preparation facilities are in place at reactor and spallation neutron sources; smaller samples and much larger molecular weight protein complexes are now feasible for investigation so as to establish their protonation states and bound water structure. With the X-ray lasers, closely linked to the SR developments, we anticipate the use of ever smaller samples such as nanocrystals, nanoclusters and single molecules, as well as opening up femtosecond time-resolved diffraction structural studies. At the SR sources, a very high throughput assessment for the best crystal samples and tackling sub-micron crystals will become widespread.

scholarly journals Time-Resolved Macromolecular Crystallography at Pulsed X-ray Sources

2019 ◽  
Vol 20 (6) ◽  
pp. 1401 ◽  
Author(s):  
Marius Schmidt
Keyword(s):  
Structural Biology ◽  
Free Electron ◽  
Reaction Dynamics ◽  
X Rays ◽  
Free Electron Lasers ◽  
Macromolecular Crystallography ◽  
Time Resolved ◽  
X Ray ◽  
Methodological Aspects

The focus of structural biology is shifting from the determination of static structures to the investigation of dynamical aspects of macromolecular function. With time-resolved macromolecular crystallography (TRX), intermediates that form and decay during the macromolecular reaction can be investigated, as well as their reaction dynamics. Time-resolved crystallographic methods were initially developed at synchrotrons. However, about a decade ago, extremely brilliant, femtosecond-pulsed X-ray sources, the free electron lasers for hard X-rays, became available to a wider community. TRX is now possible with femtosecond temporal resolution. This review provides an overview of methodological aspects of TRX, and at the same time, aims to outline the frontiers of this method at modern pulsed X-ray sources.

RADDOSE-3D: time- and space-resolved modelling of dose in macromolecular crystallography

2013 ◽  
Vol 46 (4) ◽  
pp. 1225-1230 ◽  
Author(s):  
Oliver B. Zeldin ◽  
Markus Gerstel ◽  
Elspeth F. Garman
Keyword(s):  
Data Collection ◽  
Radiation Damage ◽  
Diffraction Experiment ◽  
Macromolecular Crystallography ◽  
X Ray Diffraction ◽  
Time Resolved ◽  
X Ray ◽  
Online Methods ◽  
Crystal Volume ◽  
Number Of Iterations

RADDOSE-3D allows the macroscopic modelling of an X-ray diffraction experiment for the purpose of better predicting radiation-damage progression. The distribution of dose within the crystal volume is calculated for a number of iterations in small angular steps across one or more data collection wedges, providing a time-resolved picture of the dose state of the crystal. The code is highly modular so that future contributions from the community can be easily integrated into it, in particular to incorporate online methods for determining the shape of macromolecular crystals and better protocols for imaging real experimental X-ray beam profiles.

Time-resolved Macromolecular Crystallography Workshop at BioCARS

2009 ◽  
Vol 22 (2) ◽  
pp. 2-4
Author(s):  
Jane Andrew ◽  
Timothy Graber ◽  
Robert Henning ◽  
Zhong Ren ◽  
Vukica Srajer
Keyword(s):  
Macromolecular Crystallography ◽  
Time Resolved

scholarly journals Time-Resolved Macromolecular Crystallography

Physics Today ◽  
2001 ◽  
Vol 54 (7) ◽  
pp. 33-39 ◽  
Author(s):  
Eric A. Galburt ◽  
Barry L. Stoddard
Keyword(s):  
Macromolecular Crystallography ◽  
Time Resolved

Quantitative Analysis of Synchrotron Laue Diffraction Patterns in Macromolecular Crystallography

1995 ◽  
Vol 28 (5) ◽  
pp. 461-481 ◽  
Author(s):  
Z. Ren ◽  
K. Moffat
Keyword(s):  
Diffraction Data ◽  
Data Reduction ◽  
Data Sets ◽  
Fast Time ◽  
Macromolecular Crystallography ◽  
Laue Diffraction ◽  
Time Resolved ◽  
Data Scaling ◽  
Yield Structure ◽  
Integrated Intensities

The reduction of X-ray diffraction data obtained by the Laue method to accurate integrated intensities is more complicated and much less familiar than the reduction of monochromatic data. Problems of data accuracy and completeness have hindered the wide use of the Laue technique in macromolecular crystallography. Its unique advantage, data-collection speed, has been exploited only in situations such as fast time-resolved crystallography, to which monochromatic techniques are not as well suited. This paper reviews the major problems in data reduction in the Laue technique and provides a unified solution to the problems in integration of both streaky and spatially overlapping spots and data scaling. This solution has been incorporated into a new Laue diffraction data-reduction software package, LaueView. Laue data sets from crystals of lysozyme and α-haemolysin have been processed to test this solution, and demonstrate that Laue data sets can be reduced to yield structure amplitudes of at the very least the same quality as the best monochromatic data sets in terms of both accuracy and completeness.

scholarly journals Macromolecular crystallography with a third-generation synchrotron source

1999 ◽  
Vol 55 (10) ◽  
pp. 1654-1662 ◽  
Author(s):  
Peter F. Lindley
Keyword(s):  
Materials Science ◽  
European Synchrotron Radiation Facility ◽  
Third Generation ◽  
Macromolecular Crystallography ◽  
Time Resolved ◽  
Synchrotron Source ◽  
The Earth ◽  
Small Crystals ◽  
Wide Range ◽  
Unit Cells

The European Synchrotron Radiation Facility (ESRF) at Grenoble, France, is a 6 GeV machine producing hard X-radiation that can be used for pure and applied research in a wide range of disciplines including physics, chemistry, structural biology, materials science, the earth sciences, engineering and medicine. The overall nature of the machine will be described, including the features that give rise to the notation `third-generation source'. The ESRF is equipped with a number of beamlines which can be used for macromolecular crystallography. Applications include the use of very small crystals, large unit cells, data collection at high resolution, anomalous dispersion measurements for phase determination and time-resolved studies. Key features of these applications will be described.

Time-resolved macromolecular crystallography: introductory remarks and a little history

1992 ◽  
Vol 340 (1657) ◽  
pp. 169-173 ◽  
Keyword(s):  
Crystallographic Data ◽  
Macromolecular Crystallography ◽  
Time Resolved ◽  
X Ray ◽  
Early Use ◽  
Laue Method

X -ray crystallographic data can be collected rapidly at synchrotrons by the Laue method. The early use of the Laue method by Ewald, Nishikawa, Wyckoff and Pauling is reviewed.

Sign in / Sign up

Export Citation Format

Share Document