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Related Concept Videos

Imperfections in Crystal Structure: Point, Line and Plane Defects01:25

Imperfections in Crystal Structure: Point, Line and Plane Defects

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...
Crystal Growth: Principles of Crystallization01:25

Crystal Growth: Principles of Crystallization

Crystallization is a phase transformation process in which crystals are precipitated from a supersaturated solution or formed from other sources. During crystallization, atoms or molecules arrange themselves into a well-defined, rigid crystal lattice to minimize energy.
Initiating crystallization involves manipulating the concentration of the solute and the temperature of the solution. Since crystal growth occurs when the ratio of concentration and solubility of the solute in the solvent – the...
Imperfections in Crystal Structure: Stoichiometric Point Defects01:26

Imperfections in Crystal Structure: Stoichiometric Point Defects

Schottky defects arise when some lattice points in a crystal, such as those in NaCl, remain unoccupied, creating lattice vacancies without disturbing the overall electrical neutrality of the crystal. This defect is common in ionic crystals where the positive and negative ions are similar in size, as seen in sodium chloride and cesium chloride. The presence of Schottky defects enables the crystal to conduct electricity to a small extent through an ionic mechanism. Electric fields cause nearby...
Imperfections in Crystal Structure: Non-Stoichiometric Defects01:29

Imperfections in Crystal Structure: Non-Stoichiometric Defects

Non-stoichiometric defects refer to a type of defect in the crystal structure of a compound where the ratio of its constituent elements deviates from the ideal stoichiometric ratio. There are two main types of non-stoichiometric defects: metal excess defects and metal deficiency defects.Metal excess defects occur when there is a slight surplus of metal ions than what is required by the stoichiometric ratio of the compound. For example, heating a sodium chloride crystal in sodium vapor results...
Determination of Crystal Structures01:29

Determination of Crystal Structures

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...
Crystallographic Point Groups01:29

Crystallographic Point Groups

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 and...

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Scaled Anatomical Model Creation of Biomedical Tomographic Imaging Data and Associated Labels for Subsequent Sub-surface Laser Engraving (SSLE) of Glass Crystals
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Crystallographic model validation: from diagnosis to healing.

Jane S Richardson1, Michael G Prisant, David C Richardson

  • 1Department of Biochemistry, Duke University, 132 Nanaline Duke Bldg, DUMC 3711, Durham, NC 27710, USA.

Current Opinion in Structural Biology
|September 26, 2013
PubMed
Summary

Model validation is now an active process for improving accuracy, driven by new data standards and computational advances. This evolution enhances the reliability of structural biology data for researchers worldwide.

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Area of Science:

  • Structural Biology
  • Biophysics
  • Computational Biology

Background:

  • Model validation has shifted from a final check to an ongoing diagnostic and corrective process.
  • Recent advancements are fueled by Protein Data Bank (PDB) data deposition requirements and the Validation Task Force.
  • Growth in high-quality reference data, faster computations, and interest in molecular machines and ensembles have spurred progress.

Purpose of the Study:

  • To describe the evolution of model validation in structural biology.
  • To highlight recent advancements in automated correction and error diagnosis.
  • To outline the expansion of validation methods to diverse biomolecular components and conditions.

Main Methods:

  • Development of automated correction methods for structural models.
  • Creation of user-friendly validation reports for the scientific community.
  • Extension of validation protocols to RNA, ligands, carbohydrates, and membrane proteins.

Main Results:

  • Significant improvements in the accuracy of structural models.
  • Enhanced reliability and accessibility of structural data through improved validation reports.
  • Broader applicability of validation techniques to complex biological systems and low-resolution data.

Conclusions:

  • Model validation is now a dynamic and integral part of structural biology research.
  • Ongoing developments promise more robust and comprehensive validation tools.
  • These advancements contribute to a deeper understanding of molecular machines and structural ensembles.