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Related Concept Videos

Determination of Crystal Structures01:29

Determination of Crystal Structures

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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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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.
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X-ray diffraction or XRD is an analytical tool that utilizes X-rays to study ordered structures such as crystalline organic and inorganic samples, polycrystalline materials, proteins, carbohydrates, and drugs.
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Crystallographic Point Groups01:29

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Crystallographic point groups represent the various symmetry operations that can occur within crystals. They are unique in that at least one point will always remain unchanged during these actions. For instance, consider the triclinic system. This system, devoid of any axis or plane of symmetry, aligns with the C1 and Ci point groups.where Cᵢ is characterized solely by a center of inversion.Contrastingly, the monoclinic system introduces an element of symmetry. This system with one plane...
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Imperfections in Crystal Structure: Point, Line and Plane Defects01:25

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A perfect crystal, in theory, has a uniform structure with the same unit cell and lattice points throughout. However, any deviation from this periodic arrangement is known as an imperfection or defect. These defects can be categorized into three types: point, line, and plane defects.Point defects occur when there is a deviation from the ideal due to missing atoms, displaced atoms, or additional atoms. These imperfections might occur due to imperfect packing during crystallization or because of...
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Microcrystallography of Protein Crystals and In Cellulo Diffraction
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Crystallographic raw data, education and refereeing.

John R Helliwell1

  • 1School of Chemistry, The University of Manchester, Manchester, UK.

Postepy Biochemii
|January 30, 2017
PubMed
Summary
This summary is machine-generated.

This article discusses preserving raw diffraction data for reuse and improving its accessibility for peer review in structural biology. It highlights the importance of experimental data in scientific publications.

Keywords:
archiving of raw diffraction datacombined training and education in biological and chemical crystallographyeducation initiatives for the Open Science eraneutron macromolecular crystallographyrefereeing of articles together with diffraction data and coordinatessynchrotron radiation macromolecular crystallography

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Area of Science:

  • Structural Biology
  • Crystallography
  • Data Science

Background:

  • Raw diffraction data preservation is crucial for scientific reproducibility.
  • Effective data reuse and accessibility impact scientific training and education.
  • Peer review processes require access to experimental data and validation reports.

Purpose of the Study:

  • To provide an overview of raw diffraction data preservation.
  • To address the impact of data reuse on education and training.
  • To examine referee access to diffraction data in the publication review process.

Main Methods:

  • Literature review on data preservation practices.
  • Analysis of current educational and training needs.
  • Discussion of data access policies for peer review.

Main Results:

  • The need for standardized raw diffraction data preservation is evident.
  • Enhanced data accessibility can improve scientific training and collaboration.
  • Current review processes may benefit from improved access to raw data and validation reports.

Conclusions:

  • Robust preservation and accessibility of raw diffraction data are essential for structural biology.
  • Future training should emphasize data management and reuse.
  • Streamlining data access for referees will enhance the integrity of scientific publications.