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Related Concept Videos

X-ray Crystallography02:18

X-ray Crystallography

25.8K
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...
25.8K
Ionic Crystal Structures02:42

Ionic Crystal Structures

16.9K
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...
16.9K
Lattice Centering and Coordination Number02:33

Lattice Centering and Coordination Number

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The structure of a crystalline solid, whether a metal or not, is best described by considering its simplest repeating unit, which is referred to as its unit cell. The unit cell consists of lattice points that represent the locations of atoms or ions. The entire structure then consists of this unit cell repeating in three dimensions. The three different types of unit cells present in the cubic lattice are illustrated in Figure 1.
Types of Unit Cells
Imagine taking a large number of identical...
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Center of Gravity00:58

Center of Gravity

6.6K
The center of gravity (COG) of an object is the point where the object's total weight is considered to be concentrated. Knowing the location of the center of gravity is useful when predicting the behavior of a moving object or designing static structures. In a uniform gravitational field, the center of gravity is similar to the center of mass (COM); yet, these two points can be positioned differently. For example, the Moon's center of mass lies very close to its geometric center, but...
6.6K
Center of Gravity01:15

Center of Gravity

2.1K
The center of gravity is the point at which an object's weight appears to be concentrated and can be used to balance the object perfectly. This point is essential in mechanics as it provides information regarding a body's stability and moments of inertia. The center of gravity does not always have to fall within the shape or boundaries of the body; it may also lie outside the body in certain cases.
To determine its location, the principle of moments can be utilized by dividing the object into...
2.1K
Center of Mass00:59

Center of Mass

2.0K
The center of mass is the point at which the total mass of an object can be said to be concentrated. It is a fundamental principle in mechanics and physics that applies to all objects regardless of their shape or size. The center of gravity is the point at which an object’s weight appears to be concentrated and can be used to balance the object perfectly.
The knowledge of the center of mass can also help us to describe and predict the motion of objects. For example, when a ball is thrown...
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Related Experiment Video

Updated: Jan 22, 2026

Optimization of Crystal Growth for Neutron Macromolecular Crystallography
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Optimization of Crystal Growth for Neutron Macromolecular Crystallography

Published on: March 13, 2021

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DeepCentering: fully automated crystal centering using deep learning for macromolecular crystallography.

Sho Ito1, Go Ueno2, Masaki Yamamoto3

  • 1ROD (Single Crystal Analysis) Group, Application Laboratories, Rigaku Corporation, 3-9-12 Matubara-cho, Akishima, Tokyo 196-8666, Japan.

Journal of Synchrotron Radiation
|July 6, 2019
PubMed
Summary

DeepCentering automates crystal centering for high-throughput protein crystallography. This deep learning system enables accurate, X-ray-free centering, accelerating drug discovery efforts.

Keywords:
automated crystal centeringdeep learningfully automated structure determination

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An All-in-one Sample Holder for Macromolecular X-ray Crystallography with Minimal Background Scattering
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Automated Protocols for Macromolecular Crystallization at the MRC Laboratory of Molecular Biology
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Automated Protocols for Macromolecular Crystallization at the MRC Laboratory of Molecular Biology

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Last Updated: Jan 22, 2026

Optimization of Crystal Growth for Neutron Macromolecular Crystallography
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An All-in-one Sample Holder for Macromolecular X-ray Crystallography with Minimal Background Scattering
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Automated Protocols for Macromolecular Crystallization at the MRC Laboratory of Molecular Biology
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Automated Protocols for Macromolecular Crystallization at the MRC Laboratory of Molecular Biology

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Area of Science:

  • Structural Biology
  • Biophysics
  • Drug Discovery

Background:

  • High-throughput protein crystallography is crucial for drug discovery.
  • Automated systems, including sample changers, accelerate macromolecular crystal measurements.
  • Automating crystal centering, unlike cryo-loop centering, remains a significant challenge.

Purpose of the Study:

  • To introduce DeepCentering, a novel automated system for crystal centering.
  • To enable fully automated, accurate crystal centering without X-ray exposure.

Main Methods:

  • DeepCentering utilizes a convolutional neural network, a deep learning approach.
  • The system is designed for integration into automated data collection pipelines.

Main Results:

  • Achieved fully automated and accurate crystal centering.
  • Eliminated the need for X-ray irradiation during the centering process.

Conclusions:

  • DeepCentering significantly advances automation in macromolecular crystallography.
  • The system facilitates fully automated data collection, enhancing efficiency in drug discovery.