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Related Concept Videos

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...
X-ray Crystallography02:18

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...
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...
X-ray Diffraction of Biological Samples01:10

X-ray Diffraction of Biological Samples

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.
According to Bragg's law, when X-rays strike the sample positioned on a stage, the rays are  scattered by the electron clouds around the sample atoms. The  X-ray diffraction or scattering is caused by constructive interference of the X-ray waves that reflect off the internal crystal...
The Seven Crystal Systems: Overview01:24

The Seven Crystal Systems: Overview

Crystals with various point group symmetries belong to different crystal classes, which are synonymous terms. Despite being in the same class, crystals may have distinct shapes, like cubes and octahedra. There are 32 three-dimensional point groups, all of which are systematically divided into seven crystal systems.The basic cubic crystal system, exemplified by NaCl, features orthogonal vectors (α = β = �� = 90°) of equal lengths (a = b = c). When specific requirements are not imposed on the...

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Microcrystallography of Protein Crystals and In Cellulo Diffraction
09:35

Microcrystallography of Protein Crystals and In Cellulo Diffraction

Published on: July 21, 2017

Phaser crystallographic software.

Airlie J McCoy, Ralf W Grosse-Kunstleve, Paul D Adams

    Journal of Applied Crystallography
    |May 23, 2009
    PubMed
    Summary
    This summary is machine-generated.

    Phaser software improves macromolecular crystal structure phasing using advanced algorithms for molecular replacement and experimental phasing. This program enhances phase accuracy and automation, benefiting the crystallographic community.

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    Area of Science:

    • Structural Biology
    • Biophysics
    • Crystallography

    Background:

    • Accurate phasing is crucial for determining macromolecular crystal structures.
    • Existing phasing methods have limitations in accuracy and automation.

    Purpose of the Study:

    • To introduce Phaser, a novel program for macromolecular crystal structure phasing.
    • To enhance phasing accuracy and automation through advanced algorithms.

    Main Methods:

    • Development of novel phasing algorithms using maximum likelihood and multivariate statistics.
    • Implementation of algorithms for molecular replacement and single-wavelength anomalous dispersion (SAD) experimental phasing.
    • Integration with Python for automation and traditional CCP4 input.

    Main Results:

    • Phaser's algorithms significantly improve discrimination of correct solutions in molecular replacement compared to traditional methods.
    • Phaser achieves better phase accuracy in SAD phasing by accounting for correlations between F(+) and F(-).
    • The program demonstrates a high degree of automation and can be called directly from Python.

    Conclusions:

    • Phaser offers improved accuracy and automation for macromolecular structure phasing.
    • The software serves as a platform for future development and release of advanced phasing methods.
    • Phaser provides valuable tools for the crystallographic community, including source code access.