ArticleActa crystallographica. Section D, Structural biology2022
A round-robin approach provides a detailed assessment of biomolecular small-angle scattering data reproducibility and yields consensus curves for benchmarking.
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Article in Acta crystallographica. Section D, Structural biology, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 19 papers.
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19 citing papers in PubMed, 33 citations in OpenAlex.
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- How protein hydration depends on amino acid composition, peptide conformation, and force fields.Biophysical journal · 2026Article
- Depletion of the Protein Hydration Shell with Increasing Temperature Observed by Small-Angle X-ray Scattering and Molecular Simulations.Journal of the American Chemical Society · 2025Article
- New features inJournal of applied crystallography · 2025Article
- SAStutorials.org - online tutorials on small-angle scattering data analysis.Journal of applied crystallography · 2025Article
- On the use of dioxane as reference for determination of the hydrodynamic radius by NMR spectroscopy.Biophysical journal · 2024Article
- Sampling globally and locally correct RNA 3D structures using Ernwin, SPQR and experimental SAXS data.Nucleic acids research · 2024Article
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- IHMCIF: An Extension of the PDBx/mmCIF Data Standard for Integrative Structure Determination Methods.Journal of molecular biology · 2024Article
- Computation of X-ray and Neutron Scattering Patterns to Benchmark Atomistic Simulations against Experiments.International journal of molecular sciences · 2024Article
- Scrutinizing the protein hydration shell from molecular dynamics simulations against consensus small-angle scattering data.Communications chemistry · 2023Article
- AlphaFold, small-angle X-ray scattering and ensemble modelling: a winning combination for intrinsically disordered proteins.Journal of applied crystallography · 2023Article
- AlphaFold-predicted protein structures and small-angle X-ray scattering: insights from an extended examination of selected data in the Small-Angle Scattering Biological Data Bank.Journal of applied crystallography · 2023Article
- Upgraded D22 SEC-SANS setup dedicated to the biology community.Journal of applied crystallography · 2023Article
- 2023 update of template tables for reporting biomolecular structural modelling of small-angle scattering data.Acta crystallographica. Section D, Structural biology · 2023Article
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Authors and funding
46 authors at 20 institutions in 8 countries.
Jill TrewhellaSchool of Life and Environmental Sciences, The University of Sydney, Sydney, NSW 2006, Australia.ORCID 0000-0002-8555-6766
Patrice VachetteUniversité Paris-Saclay, CEA, CNRS, Institute for Integrative Biology of the Cell (I2BC), Paris, 91198 Gif-sur-Yvette, France.ORCID 0000-0002-2602-9704
Jan BiermaMolecular Biophysics and Integrated Bioimaging Division, Lawrence Berkeley National Laboratory, Berkeley, California, USA.
Clement BlanchetEuropean Molecular Biology Laboratory (EMBL) Hamburg Unit, Notkestrasse 85, c/o Deutsches Elektronen-Synchrotron, 22607 Hamburg, Germany.ORCID 0000-0003-3432-8496
Emre BrookesChemistry and Biochemistry, University of Montana, 32 Campus Drive, Missoula, MT 59812, USA.
Srinivas ChakravarthyBioCAT, Department of Biological Sciences, Illinois Institute of Technology, Chicago, IL 60616, USA.
Leonie ChatzimagasTheoretical Physics and Center for Biophysics, Saarland University, Campus E2.6, 66123 Saarbrücken, Germany.ORCID 0000-0002-9880-6752
Thomas E ClevelandInstitute for Bioscience and Biotechnology Research, 9600 Gudelsky Drive, Rockville, MD 20850, USA.
Nathan CowiesonDiamond Light Source, Harwell Science and Innovation Campus, Didcot OX11 0DE, United Kingdom.ORCID 0000-0002-0811-6169
Ben CrossettSydney Mass Spectrometry, The University of Sydney, Sydney, NSW 2006, Australia.ORCID 0000-0001-5366-4554
Anthony P DuffAustralian Nuclear Science and Technology Organisation, New Illawara Road, Lucas Heights, NSW 2234, Australia.ORCID 0000-0003-3586-360X
Daniel FrankeEuropean Molecular Biology Laboratory (EMBL) Hamburg Unit, Notkestrasse 85, c/o Deutsches Elektronen-Synchrotron, 22607 Hamburg, Germany.
Frank GabelInstitut de Biologie Structurale, CEA, CNRS, Université Grenoblé Alpes, 41 Rue Jules Horowitz, 38027 Grenoble, France.ORCID 0000-0003-3446-2601
Richard E GillilanCornell High-Energy Synchrotron Source, 161 Synchrotron Drive, Ithaca, NY 14853, USA.ORCID 0000-0002-7636-3188
Melissa GraewertEuropean Molecular Biology Laboratory (EMBL) Hamburg Unit, Notkestrasse 85, c/o Deutsches Elektronen-Synchrotron, 22607 Hamburg, Germany.ORCID 0000-0001-7547-636X
Alexander GrishaevInstitute for Bioscience and Biotechnology Research, 9600 Gudelsky Drive, Rockville, MD 20850, USA.
J Mitchell GussSchool of Life and Environmental Sciences, The University of Sydney, Sydney, NSW 2006, Australia.ORCID 0000-0003-4259-6079
Michal HammelMolecular Biophysics and Integrated Bioimaging Division, Lawrence Berkeley National Laboratory, Berkeley, California, USA.
Jesse HopkinsBioCAT, Department of Biological Sciences, Illinois Institute of Technology, Chicago, IL 60616, USA.ORCID 0000-0001-8554-8072
Qingqui HuangCornell High-Energy Synchrotron Source, 161 Synchrotron Drive, Ithaca, NY 14853, USA.
Jochen S HubTheoretical Physics and Center for Biophysics, Saarland University, Campus E2.6, 66123 Saarbrücken, Germany.ORCID 0000-0001-7716-1767
Greg L HuraMolecular Biophysics and Integrated Bioimaging Division, Lawrence Berkeley National Laboratory, Berkeley, California, USA.
Thomas C IrvingBioCAT, Department of Biological Sciences, Illinois Institute of Technology, Chicago, IL 60616, USA.ORCID 0000-0003-4848-3323
Cy Michael JeffriesEuropean Molecular Biology Laboratory (EMBL) Hamburg Unit, Notkestrasse 85, c/o Deutsches Elektronen-Synchrotron, 22607 Hamburg, Germany.ORCID 0000-0002-8718-7343
Cheol JeongDepartment of Physics, Wesleyan University, Middletown, CT 06459, USA.
Nigel KirbyAustralian Synchrotron, ANSTO, 800 Blackburn Road, Clayton, VIC 3158, Australia.ORCID 0000-0002-2791-4684
Susan KruegerNational Institute of Standards and Technology, 100 Bureau Drive, Gaithersburg, MD 20899, USA.ORCID 0000-0002-5774-5834
Anne MartelInstitut Laue-Langevin, 71 Avenue des Martyrs, 38042 Grenoble CEDEX 9, France.
Tsutomu MatsuiStanford Synchrotron Radiation Lightsource, Stanford University, 2575 Sand Hill Road, Menlo Park, CA 94025, USA.
Na LiNational Facility for Protein Science in Shanghai, Zhangjiang Laboratory, Shanghai Advanced Research Institute, Chinese Academy of Sciences, Road No. 333, Haike Road, Shanghai 201210, People's Republic of China.ORCID 0000-0002-8476-511X
Javier PérezSynchrotron SOLEIL, L'Orme des Merisiers, Saint-Aubin BP 48, 91192 Gif-sur-Yvette, France.ORCID 0000-0003-3083-4754
Lionel PorcarInstitut Laue-Langevin, 71 Avenue des Martyrs, 38042 Grenoble CEDEX 9, France.
Thierry PrangéCITCoM (UMR 8038 CNRS), Faculté de Pharmacie, 4 Avenue de l'Observatoire, 75006 Paris, France.
Ivan RajkovicStanford Synchrotron Radiation Lightsource, Stanford University, 2575 Sand Hill Road, Menlo Park, CA 94025, USA.ORCID 0000-0003-4397-4801
Mattia RoccoProteomica e Spettrometria di Massa, IRCCS Ospedale Policlinico San Martino, Largo R. Benzi 10, 16132 Genova, Italy.ORCID 0000-0002-0456-7528
Daniel J RosenbergMolecular Biophysics and Integrated Bioimaging Division, Lawrence Berkeley National Laboratory, Berkeley, California, USA.ORCID 0000-0001-8017-8156
Timothy M RyanAustralian Synchrotron, ANSTO, 800 Blackburn Road, Clayton, VIC 3158, Australia.
Soenke SeifertX-ray Science Division, Advanced Photon Source, Argonne National Laboratory, Lemont, IL 60439, USA.
Hiroshi SekiguchiSPring-8, Japan Synchrotron Radiation Research Institute, 1-1-1 Kouto, Sayo-cho, Sayo-gun, Hyōgo 679-5198, Japan.ORCID 0000-0001-7590-3624
Dmitri SvergunEuropean Molecular Biology Laboratory (EMBL) Hamburg Unit, Notkestrasse 85, c/o Deutsches Elektronen-Synchrotron, 22607 Hamburg, Germany.ORCID 0000-0003-0830-5696
Susana TeixeiraNational Institute of Standards and Technology, 100 Bureau Drive, Gaithersburg, MD 20899, USA.ORCID 0000-0002-6603-7936
Aurelien ThureauSynchrotron SOLEIL, L'Orme des Merisiers, Saint-Aubin BP 48, 91192 Gif-sur-Yvette, France.ORCID 0000-0001-5666-260X
Thomas M WeissStanford Synchrotron Radiation Lightsource, Stanford University, 2575 Sand Hill Road, Menlo Park, CA 94025, USA.
Andrew E WhittenAustralian Nuclear Science and Technology Organisation, New Illawara Road, Lucas Heights, NSW 2234, Australia.ORCID 0000-0001-8856-3120
Kathleen WoodAustralian Nuclear Science and Technology Organisation, New Illawara Road, Lucas Heights, NSW 2234, Australia.ORCID 0000-0002-8774-8112
Xiaobing ZuoX-ray Science Division, Advanced Photon Source, Argonne National Laboratory, Lemont, IL 60439, USA.
Australian Nuclear Science and Technology Organisation · AUDeutsches Elektronen-Synchrotron DESY · DELawrence Berkeley National Laboratory · USCentre National de la Recherche Scientifique · FRIllinois Institute of Technology · USStanford Synchrotron Radiation Lightsource · USThe University of Sydney · AUArgonne National Laboratory · USCornell University · USInstitut Laue-Langevin · FRNational Institute of Standards and Technology · USSaarland University · DESynchrotron soleil · FRUniversity of Maryland, Baltimore · USChinese Academy of Sciences · CNDiamond Light Source · GBOspedale Policlinico San Martino · ITSPring-8 · JPUniversity of Montana · USWesleyan University · US
Funding
A Synchrotron Radiation Structural Biology ResourcesP30GM133894 · NIGMS · STANFORD UNIVERSITY · PI Ritimukta Sarangi · 2020 to 2026
$43.3MTraining and OutreachP30GM124166 · NIGMS · CORNELL UNIVERSITY · PI RICHARD A. CERIONE · 2019 to 2026
$28.3MThe Biophysics Collaborative Access Team (User Training and Outreach)P30GM138395 · NIGMS · ILLINOIS INSTITUTE OF TECHNOLOGY · PI THOMAS C IRVING · 2021 to 2026
$16.5MDevelopment of an UltraScan Meta-Scheduler for HPC Job SubmissionR01GM120600 · NIGMS · UNIVERSITY OF TEXAS HLTH SCIENCE CENTER · PI Emre H. Brookes, BORRIES DEMELER · 2016 to 2026
$3.6MPILATUS3 X 1M X-ray detectorS10OD021512 · OD · STANFORD UNIVERSITY · PI WEIS, WILLIAM I · 2016 to 2016
$550kAdvanced Pixel Array Detector for Time-Resolved SAXS and Fiber DiffractionS10OD018090 · OD · ILLINOIS INSTITUTE OF TECHNOLOGY · PI IRVING, THOMAS C · 2014 to 2014
$529kNIGMS NIH HHS P30 GM124166NIGMS NIH HHS P30 GM133894NIGMS NIH HHS P30 GM138395NIGMS NIH HHS R01 GM120600NIH HHS S10 OD018090NIH HHS S10 OD021512
Abstract
Through an expansive international effort that involved data collection on 12 small-angle X-ray scattering (SAXS) and four small-angle neutron scattering (SANS) instruments, 171 SAXS and 76 SANS measurements for five proteins (ribonuclease A, lysozyme, xylanase, urate oxidase and xylose isomerase) were acquired. From these data, the solvent-subtracted protein scattering profiles were shown to be reproducible, with the caveat that an additive constant adjustment was required to account for small errors in solvent subtraction. Further, the major features of the obtained consensus SAXS data over the q measurement range 0-1 Å
Indexed as
ProteinsConsensusReproducibility of ResultsScattering, Small AngleSolventsX-Ray DiffractionProteinsSolventsbenchmarking standardsbiomolecular small-angle scatteringneutron scatteringscattering-profile calculationstandardsX-ray scattering
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