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Related Concept Videos

Crystal Growth: Principles of Crystallization01:25

Crystal Growth: Principles of Crystallization

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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...
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Recrystallization: Solid–Solution Equilibria01:10

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Recrystallization is a purification technique used to separate impurities from solid compounds. In this technique, no chemical reactions occur. Instead, it exploits physical properties only, specifically, the solubility differences between the desired compound and impurities, either at a single temperature or at different temperatures, and under other selected conditions. The solid-solution equilibrium (solubility equilibrium) of each component in the solution represents a binary phase...
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Unit Cells01:18

Unit Cells

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A crystal's internal structure is an orderly array of atoms, ions, or molecules, and the details of this array significantly influence the solid's properties. In a crystal, periodically repeating 'structural motifs' - which could be atoms, molecules, or groups thereof - create a 'space lattice.' This is essentially a three-dimensional, infinite array of points, each surrounded by its neighbors in an identical way, forming the basic structure of the crystal.A 'unit cell' is a theoretical...
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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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Structures of Solids02:22

Structures of Solids

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Solids in which the atoms, ions, or molecules are arranged in a definite repeating pattern are known as crystalline solids. Metals and ionic compounds typically form ordered, crystalline solids. A crystalline solid has a precise melting temperature because each atom or molecule of the same type is held in place with the same forces or energy. Amorphous solids or non-crystalline solids (or, sometimes, glasses) which lack an ordered internal structure and are randomly arranged. Substances that...
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Ionic Crystal Structures02:42

Ionic Crystal Structures

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Ionic crystals consist of two or more different kinds of ions that usually have different sizes. The packing of these ions into a crystal structure is more complex than the packing of metal atoms that are the same size.
Most monatomic ions behave as charged spheres, and their attraction for ions of opposite charge is the same in every direction. Consequently, stable structures for ionic compounds result (1) when ions of one charge are surrounded by as many ions as possible of the opposite...
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Author Spotlight: Advancing Protein Structure Analysis for Drug Development
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A drunken search in crystallization space.

Vincent J Fazio1, Thomas S Peat1, Janet Newman1

  • 1Manufacturing Flagship, CSIRO, 343 Royal Parade, Parkville, VIC 3052, Australia.

Acta Crystallographica. Section F, Structural Biology Communications
|October 8, 2014
PubMed
Summary
This summary is machine-generated.

Nearly 40% of Protein Data Bank crystallization conditions match commercial offerings. This analysis helps identify optimal commercial kits for protein crystallization screening and achieving well-diffracting crystals.

Keywords:
crystallizationcrystallization space

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Area of Science:

  • Structural Biology
  • Biochemistry
  • Data Science

Background:

  • The Protein Data Bank (PDB) contains extensive crystallization data, but the REMARK280 field is uncurated, requiring manual data extraction.
  • Commercial crystallization screens offer numerous conditions from various vendors, presenting a valuable resource for researchers.

Purpose of the Study:

  • To analyze the overlap between PDB crystallization conditions and commercially available screening kits.
  • To identify which commercial conditions are most effective for producing well-diffracting protein crystals.

Main Methods:

  • Data harmonization of PDB REMARK280 field and commercial crystallization cocktails.
  • Comparative analysis to determine the similarity between PDB and commercial conditions.
  • Evaluation of commercial kits for suitability in different crystallization screening approaches (shotgun and traditional).

Main Results:

  • A significant overlap exists, with approximately 40% of PDB crystallization conditions being identical or highly similar to commercial conditions.
  • Identification of specific commercial kits that are frequently represented in successful PDB entries.
  • Insights into the efficacy of commercial kits for various screening strategies.

Conclusions:

  • Commercial crystallization screens represent a substantial portion of conditions used successfully in the PDB.
  • This analysis provides valuable guidance for researchers selecting commercial kits to optimize protein crystallization and structure determination efforts.