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X-ray Crystallography

X-ray Crystallography

The size of the unit cell and the arrangement of atoms in a crystal may be determined from measurements of the diffraction of X-rays by the crystal, termed X-ray crystallography.
Diffraction
Diffraction is the change in the direction of travel experienced by an electromagnetic wave when it encounters a physical barrier whose dimensions are comparable to those of the wavelength of the light. X-rays are electromagnetic radiation with wavelengths about as long as the distance between neighboring...

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In the late 1800s, the revelation that light extended beyond visible wavelengths led to the discovery of X-rays by Wilhelm Roentgen. Recognized as high-energy electromagnetic radiation with short wavelengths, X-rays prompted exploration into their interaction with crystals. Max von Laue proposed in 1912 that the periodic arrangement of atoms, ions, or molecules in crystals would cause them to diffract X-rays, a hypothesis confirmed through experiments with copper sulfate and zinc sulfide...

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Related Experiment Video

Updated: Apr 20, 2026

$Measurements of Long-range Electronic Correlations During Femtosecond Diffraction Experiments Performed on Nanocrystals of Buckminsterfullerene$

Measurements of Long-range Electronic Correlations During Femtosecond Diffraction Experiments Performed on Nanocrystals of Buckminsterfullerene

Published on: August 22, 2017

Approaches to time-resolved diffraction using an XFEL.

John C H Spence¹

¹Department of Physics, Arizona State University, Tempe, Az., USA 85282.

Faraday Discussions

|November 22, 2014

Summary

This summary is machine-generated.

New X-ray Free-Electron Laser (XFEL) imaging techniques enable precise time-resolved molecular motion studies. These methods address challenges in capturing full Bragg reflections and offer solutions for studying both fast and slow molecular processes.

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Improving High Viscosity Extrusion of Microcrystals for Time-resolved Serial Femtosecond Crystallography at X-ray Lasers

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Published on: February 28, 2019

$Synchrotron X-ray Microdiffraction and Fluorescence Imaging of Mineral and Rock Samples$

Synchrotron X-ray Microdiffraction and Fluorescence Imaging of Mineral and Rock Samples

Published on: June 19, 2018

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Last Updated: Apr 20, 2026

$Measurements of Long-range Electronic Correlations During Femtosecond Diffraction Experiments Performed on Nanocrystals of Buckminsterfullerene$

Measurements of Long-range Electronic Correlations During Femtosecond Diffraction Experiments Performed on Nanocrystals of Buckminsterfullerene

Published on: August 22, 2017

Improving High Viscosity Extrusion of Microcrystals for Time-resolved Serial Femtosecond Crystallography at X-ray Lasers

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Published on: February 28, 2019

$Synchrotron X-ray Microdiffraction and Fluorescence Imaging of Mineral and Rock Samples$

Synchrotron X-ray Microdiffraction and Fluorescence Imaging of Mineral and Rock Samples

Published on: June 19, 2018

Area of Science:

Structural Biology
Ultrafast Spectroscopy
X-ray Science

Background:

X-ray Free-Electron Lasers (XFELs) offer unprecedented brightness for studying molecular dynamics.
Accurate time-resolved structural measurements present significant challenges with XFEL radiation.
Existing methods struggle with capturing complete structural data in single shots.

Purpose of the Study:

To present novel time-resolved imaging schemes for molecular motion using XFELs.
To overcome limitations in Bragg reflection data collection for pump-probe crystallography.
To enable structural studies of both rapid and slower molecular processes.

Main Methods:

Utilizing the broad bandwidth of attosecond pulses from XFELs.
Employing coherent convergent beam modes for enhanced data collection.
Developing a mixing jet sample delivery for microsecond-scale solution scattering.
Suggesting lipid cubic phase delivery for membrane protein studies.
Proposing two-color and split-and-delay schemes for serial femtosecond crystallography (SFX).

Main Results:

Demonstrated interference of Bragg reflections to yield structure factor phase information.
Introduced a microsecond-timescale sample delivery system for solution scattering.
Proposed atmospheric pressure delivery for membrane protein structural studies.
Enhanced accuracy in serial femtosecond crystallography (SFX) through advanced timing schemes.

Conclusions:

The developed XFEL-based schemes significantly advance time-resolved structural biology.
These methods provide new avenues for investigating molecular dynamics across various timescales.
The techniques facilitate more accurate and comprehensive structural determination of molecules in action.