Evidence map›Paper›PMID 31768399›Full record

ArticleStructural dynamics (Melville, N.Y.)2019

The Integrated Resource for Reproducibility in Macromolecular Crystallography: Experiences of the first four years.

Marek Grabowski, Marcin Cymborowski, Przemyslaw J Porebski, Tomasz Osinski, Ivan G Shabalin, David R Cooper, Wladek Minor

Abstract read
In one paragraph

Article in Structural dynamics (Melville, N.Y.), 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 24 papers.

0numbers the graph read from it
0cells of the map it votes in
24citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

24 citing papers in PubMed.

  1. Article
  2. How can we make sound replication decisions?Proceedings of the National Academy of Sciences of the United States of America · 2025
    Article
  3. Exploring Subsite Selectivity withinJournal of medicinal chemistry · 2024
    Article
  4. Article
  5. Article
  6. Article
  7. Article
  8. Antimicrobial agents and chemotherapy · 2023
    Article
  9. Serial femtosecond crystallography.Nature reviews. Methods primers · 2022
    Article
  10. Article
  11. Article
  12. Optimal structure determination from sub-optimal diffraction data.Protein science : a publication of the Protein Society · 2022
    Article
  13. Article
  14. Article
  15. Article
  16. Article
  17. Article
  18. Synchrotron Radiation as a Tool for Macromolecular X-Ray Crystallography: a XXI Century Perspective.Nuclear instruments & methods in physics research. Section B, Beam interactions with materials and atoms · 2021
    Article
  19. Article
  20. Article
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

7 authors.

Przemyslaw J PorebskiDepartment of Molecular Physiology and Biological Physics, University of Virginia, Charottesville, Virginia 22908, USA.ORCID https://orcid.org/0000-0001-8012-5791
Tomasz OsinskiDepartment of Molecular Physiology and Biological Physics, University of Virginia, Charottesville, Virginia 22908, USA.ORCID https://orcid.org/0000-0001-9933-346X

Funding

Reproducible, Unbiased Ligand Identification Assisted by Artificial Intelligence and Development of Ligand Reference LibrariesR01GM132595 · NIGMS · UNIVERSITY OF VIRGINIA · PI MINOR, WLADEK · 2019 to 2022
$2.3M
Integrated resource for reproducibility in macromolecular crystallographyU01HG008424 · NHGRI · UNIVERSITY OF VIRGINIA · PI MINOR, WLADEK · 2015 to 2017
$1.5M
X-ray data analysis in the presence of structural variability - Administrative SupplementR01GM117080 · NIGMS · UT SOUTHWESTERN MEDICAL CENTER · PI MINOR, WLADEK, OTWINOWSKI, ZBYSZEK · 2015 to 2018
$1.4M
Metal binding sites in macromolecular structuresR01GM117325 · NIGMS · UNIVERSITY OF VIRGINIA · PI MINOR, WLADEK · 2016 to 2019
$1.3M
NHGRI NIH HHS U01 HG008424NIAID NIH HHS HHSN272201200026CNIAID NIH HHS HHSN272201700060CNIGMS NIH HHS R01 GM117080NIGMS NIH HHS R01 GM117325NIGMS NIH HHS R01 GM132595
6 · The paper itself

Abstract

It has been increasingly recognized that preservation and public accessibility of primary experimental data are cornerstones necessary for the reproducibility of empirical sciences. In the field of molecular crystallography, many journals now recommend that authors of manuscripts presenting a new crystal structure should deposit their primary experimental data (X-ray diffraction images) to one of the dedicated resources created in recent years. Here, we describe our experiences developing the Integrated Resource for Reproducibility in Molecular Crystallography (IRRMC) and describe several examples of a crucial role that diffraction data can play in improving previously determined protein structures. In its first four years, several hundred crystallographers have deposited data from over 5200 diffraction experiments performed at over 60 different synchrotron beamlines or home sources all over the world. In addition to improving the resource and curating submitted data, we have been building a pipeline for extraction or, in some cases, reconstruction of the metadata necessary for seamless automated processing. Preliminary analysis indicates that about 95% of the archived data can be automatically reprocessed. A high rate of reprocessing success shows the feasibility of using the automated metadata extraction and automated processing as a validation step for the deposition of raw diffraction images. The IRRMC is guided by the Findable, Accessible, Interoperable, and Reusable data management principles.

Identifiers

PMID31768399
PMCPMC6874509

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Registered trials

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.