Evidence map›Paper›PMID 22000512›Full record

ArticleStructure (London, England : 1993)2011

A new generation of crystallographic validation tools for the protein data bank.

Randy J Read, Paul D Adams, W Bryan Arendall, Axel T Brunger, Paul Emsley, Robbie P Joosten, Gerard J Kleywegt, Eugene B Krissinel, Thomas Lütteke, Zbyszek Otwinowski and 7 more

Abstract readValidation Study
In one paragraph

Article in Structure (London, England : 1993), 2011. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 287 papers.

0numbers the graph read from it
0cells of the map it votes in
287citing 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

287 citing papers in PubMed.

  1. Article
  2. Review
  3. Article
  4. Avoiding pitfalls when modelling ligands in macromolecular crystallography.Acta crystallographica. Section D, Structural biology · 2026
    Article
  5. Article
  6. Article
  7. Article
  8. Crystallographic and EPR-based characterisation of CuInorganic chemistry frontiers · 2026
    Article
  9. Article
  10. Article
  11. Article
  12. Associating protein residues in the literature with structural data.Acta crystallographica. Section D, Structural biology · 2026
    Article
  13. Article
  14. Article
  15. Halogen bonds between ligands and proteins: Can we use them in validation?Protein science : a publication of the Protein Society · 2025
    Article
  16. Article
  17. Article
  18. Reconstructing biological molecules with help from video gamers.Acta crystallographica. Section D, Structural biology · 2025
    Article
  19. Article
  20. Ten rules for a structural bioinformatic analysis.PLoS computational biology · 2025
    Article

227 more citing papers are in PubMed but not listed here.

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

17 authors.

Randy J ReadCIMR, University of Cambridge, Cambridge CB2 0XY, UK. rjr27@cam.ac.uk
Paul D Adams
W Bryan Arendall
Axel T Brunger
Paul Emsley
Robbie P Joosten
Gerard J Kleywegt
Eugene B Krissinel
Thomas Lütteke
Zbyszek Otwinowski
Anastassis Perrakis
Jane S Richardson
William H Sheffler
Janet L Smith
Ian J Tickle
Gert Vriend
Peter H Zwart

Funding

PROJECT 5 - DUKE - STRUCTURE VALIDATION AND IMPROVEMENT FOR PROTEINS AND N. ACIDSP01GM063210 · NIGMS · UNIVERSITY OF CALIF-LAWRENC BERKELEY LAB · PI ADAMS, PAUL DAVID · 2001 to 2021
$33.5M
STRUCTURE AND FUNCTION OF A PURINE BIOSYNTHETIC ENZYMER01DK042303 · NIDDK · UNIVERSITY OF MICHIGAN AT ANN ARBOR · PI SMITH, JANET L. · 1990 to 2024
$6.6M
X-RAY CRYSTALLOGRAPHY OF MACROMOLECULESR01GM053163 · NIGMS · UT SOUTHWESTERN MEDICAL CENTER · PI MINOR, WLADEK, OTWINOWSKI, ZBYSZEK · 1996 to 2014
$6.3M
MolProbity Validation & Corrections: for Crystallography, PDB & BiomedicineR01GM073919 · NIGMS · DUKE UNIVERSITY · PI RICHARDSON, DAVID CLAUDE · 2006 to 2018
$3.7M
New Kind of Quality Management for X-ray &NMR ModelsR01GM073930 · NIGMS · DUKE UNIVERSITY · PI RICHARDSON, DAVID CLAUDE · 2005 to 2013
$2.3M
Structural basis of specificity in affinity-labeled polyketide synthase didomainsR01GM081544 · NIGMS · UNIVERSITY OF MICHIGAN AT ANN ARBOR · PI SMITH, JANET L. · 2009 to 2012
$1.9M
Biotechnology and Biological Sciences Research Council BB/F020805/1Howard Hughes Medical InstituteNIDDK NIH HHS R01 DK042303NIDDK NIH HHS R01-DK42303NIGMS NIH HHS 1P01 GM063210NIGMS NIH HHS P01 GM063210NIGMS NIH HHS R01 GM053163NIGMS NIH HHS R01 GM073919NIGMS NIH HHS R01-GM073919NIGMS NIH HHS R01 GM073930NIGMS NIH HHS R01-GM073930NIGMS NIH HHS R01 GM081544NIGMS NIH HHS R01-GM81544Wellcome TrustWellcome Trust 082961
6 · The paper itself

Abstract

This report presents the conclusions of the X-ray Validation Task Force of the worldwide Protein Data Bank (PDB). The PDB has expanded massively since current criteria for validation of deposited structures were adopted, allowing a much more sophisticated understanding of all the components of macromolecular crystals. The size of the PDB creates new opportunities to validate structures by comparison with the existing database, and the now-mandatory deposition of structure factors creates new opportunities to validate the underlying diffraction data. These developments highlighted the need for a new assessment of validation criteria. The Task Force recommends that a small set of validation data be presented in an easily understood format, relative to both the full PDB and the applicable resolution class, with greater detail available to interested users. Most importantly, we recommend that referees and editors judging the quality of structural experiments have access to a concise summary of well-established quality indicators.

Indexed as

Advisory CommitteesCrystallography, X-RayDatabases, ProteinHydrogen BondingProtein ConformationProteinsQuality ControlSequence Analysis, ProteinSoftwareX-Ray DiffractionProteins

Identifiers

PMID22000512
PMCPMC3195755

What OpenQuestion holds

Textmetadata
LicenceCC BY
Read underepoch 390

Registered trials

None linked

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.