Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Related Concept Videos

Long-patch Base Excision Repair01:02

Long-patch Base Excision Repair

7.0K
Since the discovery of the two BER pathways, there has been a debate about how a cell chooses one pathway over the other and the factors determining this selection. Numerous in vitro experiments have pointed out multiple determinants for the sub-pathway selection. These are:
7.0K

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by
Same author

Report of high data rate macromolecular crystallography (HDRMX) meeting, 23 July 2025.

Structural dynamics (Melville, N.Y.)·2026
Same author

Vancomycin-resistant Enterococcus faecium: a national wide genomic snapshot in Switzerland.

European journal of clinical microbiology & infectious diseases : official publication of the European Society of Clinical Microbiology·2026
Same author

Radiation damage in sub-Ångström resolution macromolecular crystallography: a low-dose study.

Acta crystallographica. Section D, Structural biology·2026
Same author

Automated workflows for strategy computation and data collection at synchrotron beamlines.

Acta crystallographica. Section D, Structural biology·2026
Same author

Cell-derived Nanoparticles Provide a Robust Platform to Manufacture Therapeutic T cells.

Research square·2026
Same author

New targets and procedures for validating the valence geometry of nucleic acid structures.

Nucleic acids research·2026

Related Experiment Video

Updated: Jul 2, 2025

Fully Autonomous Characterization and Data Collection from Crystals of Biological Macromolecules
07:11

Fully Autonomous Characterization and Data Collection from Crystals of Biological Macromolecules

Published on: March 22, 2019

6.9K

Advanced exploitation of unmerged reflection data during processing and refinement with autoPROC and BUSTER.

Clemens Vonrhein1, Claus Flensburg1, Peter Keller1

  • 1Global Phasing Ltd, Sheraton House, Castle Park, Cambridge, United Kingdom.

Acta Crystallographica. Section D, Structural Biology
|February 27, 2024
PubMed
Summary

Unmerged crystallographic data reveal model improvements. New tools analyze unmerged reflections for better structural model validation and error detection in macromolecular X-ray crystallography.

Keywords:
fitness analysisradiation damagereflection auditingunmerged reflection datavalidation against diffraction data

More Related Videos

Author Spotlight: Introduction to Active Probe Atomic Force Microscopy with Quattro-Parallel Cantilever Arrays
05:04

Author Spotlight: Introduction to Active Probe Atomic Force Microscopy with Quattro-Parallel Cantilever Arrays

Published on: June 13, 2023

1.5K
High-Throughput Metabolic Profiling for Model Refinements of Microalgae
11:07

High-Throughput Metabolic Profiling for Model Refinements of Microalgae

Published on: December 4, 2021

3.8K

Related Experiment Videos

Last Updated: Jul 2, 2025

Fully Autonomous Characterization and Data Collection from Crystals of Biological Macromolecules
07:11

Fully Autonomous Characterization and Data Collection from Crystals of Biological Macromolecules

Published on: March 22, 2019

6.9K
Author Spotlight: Introduction to Active Probe Atomic Force Microscopy with Quattro-Parallel Cantilever Arrays
05:04

Author Spotlight: Introduction to Active Probe Atomic Force Microscopy with Quattro-Parallel Cantilever Arrays

Published on: June 13, 2023

1.5K
High-Throughput Metabolic Profiling for Model Refinements of Microalgae
11:07

High-Throughput Metabolic Profiling for Model Refinements of Microalgae

Published on: December 4, 2021

3.8K

Area of Science:

  • Macromolecular crystallography
  • Structural biology
  • Biophysics

Background:

  • Structural model validation in macromolecular X-ray crystallography typically relies on merged diffraction data.
  • Unmerged reflection data, containing richer metadata, are often underutilized.
  • Current validation methods may miss subtle issues affecting model accuracy.

Purpose of the Study:

  • To demonstrate the value of unmerged reflection data for enhancing structural model validation.
  • To introduce tools for performing advanced analyses on unmerged crystallographic data.
  • To improve the accuracy and reliability of macromolecular structural models.

Main Methods:

  • Utilizing unmerged reflection data for advanced crystallographic analyses.
  • Developing and applying tools for automatic identification of problematic diffraction ranges.
  • Implementing a 'reflection-auditing' process to investigate data-model discrepancies.
  • Calculating F(early) - F(late) maps using selected unmerged data subsets.

Main Results:

  • Identification and removal of diffraction data affected by crystal centering loss or decay.
  • Detection of previously undiagnosed instrumental, experimental, or processing issues via reflection auditing.
  • Characterization of radiation damage extent and location using F(early) - F(late) maps.
  • Guidance for improved modeling of localized radiation damage effects.

Conclusions:

  • Unmerged reflection data offer significant advantages over merged data for structural model validation.
  • The presented tools enable deeper insights into data quality and model accuracy.
  • Leveraging unmerged data leads to more robust and reliable macromolecular structural models.