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相关概念视频

X-ray Crystallography02:18

X-ray Crystallography

24.2K
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...
24.2K
X-ray Diffraction of Biological Samples01:10

X-ray Diffraction of Biological Samples

4.1K
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...
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相关实验视频

Updated: Sep 15, 2025

Microcrystallography of Protein Crystals and In Cellulo Diffraction
09:35

Microcrystallography of Protein Crystals and In Cellulo Diffraction

Published on: July 21, 2017

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cctbx.xfel:用于处理串行晶体学数据的套件.

Aaron S Brewster1, Daniel W Paley1, Asmit Bhowmick1

  • 1Molecular Biophysics and Integrated Bioimaging Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720, USA.

bioRxiv : the preprint server for biology
|July 14, 2025
PubMed
概括
此摘要是机器生成的。

cctbx.xfel软件能够快速分析来自同步子和X射线自由电子激光器 (XFEL) 的串行衍射数据. 它促进了高效的数据处理,可视化和合并,即使是复杂的异质样本.

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Workflow and Tools for Crystallographic Fragment Screening at the Helmholtz-Zentrum Berlin
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Structure Solution of the Fluorescent Protein Cerulean Using MeshAndCollect
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相关实验视频

Last Updated: Sep 15, 2025

Microcrystallography of Protein Crystals and In Cellulo Diffraction
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Microcrystallography of Protein Crystals and In Cellulo Diffraction

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Workflow and Tools for Crystallographic Fragment Screening at the Helmholtz-Zentrum Berlin
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Workflow and Tools for Crystallographic Fragment Screening at the Helmholtz-Zentrum Berlin

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Structure Solution of the Fluorescent Protein Cerulean Using MeshAndCollect
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Structure Solution of the Fluorescent Protein Cerulean Using MeshAndCollect

Published on: March 19, 2019

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科学领域:

  • 晶体学 晶体学是指结晶学.
  • 结构生物学 结构生物学
  • 数据分析 数据分析

背景情况:

  • 序列衍射数据分析需要高效和多功能软件工具.
  • 现有的方法可能无法充分处理来自同步子和X射线自由电子激光器 (XFEL) 的复杂数据集.

研究的目的:

  • 介绍和描述用于处理串行衍射数据的cctbx.xfel软件套件.
  • 详细介绍实时和实验后分析的算法和功能.
  • 为了证明软件在处理复杂,异质样本方面的能力.

主要方法:

  • 使用DIALS和cctbx框架进行数据处理.
  • 使用图形化用户界面进行视觉分析和组织.
  • 实现了用于查找,索引,改进,整合,扩展和合并的算法.
  • 具有单元细胞集群用于异形分离和 ΔCC1/2 过以删除异常值.

主要成果:

  • 成功处理了序列衍射数据,效率高.
  • 从异质样本中识别并分离了六边形和单边形异构体.
  • 解决了对于单个异构体的 (伪) 甲状体索引模两可.
  • 使用元数据标记证明有效的数据合并和分析.

结论:

  • cctbx.xfel提供了一种强大且易于使用的解决方案,用于串行衍射数据分析.
  • 该软件有效地处理复杂的数据集,包括多重晶体形式.
  • 高级功能提高了数据质量,并使详细的结构研究成为可能.