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Title: Implementation and performance of SIBYLS: a dual endstation small-angle X-ray scattering and macromolecular crystallography beamline at the Advanced Light Source

Abstract

The SIBYLS beamline (12.3.1) of the Advanced Light Source at Lawrence Berkeley National Laboratory, supported by the US Department of Energy and the National Institutes of Health, is optimized for both small-angle X-ray scattering (SAXS) and macromolecular crystallography (MX), making it unique among the world's mostly SAXS or MX dedicated beamlines. Since SIBYLS was commissioned, assessments of the limitations and advantages of a combined SAXS and MX beamline have suggested new strategies for integration and optimal data collection methods and have led to additional hardware and software enhancements. Features described include a dual mode monochromator [containing both Si(111) crystals and Mo/B4C multilayer elements], rapid beamline optics conversion between SAXS and MX modes, active beam stabilization, sample-loading robotics, and mail-in and remote data collection. These features allow users to gain valuable insights from both dynamic solution scattering and high-resolution atomic diffraction experiments performed at a single synchrotron beamline. Key practical issues considered for data collection and analysis include radiation damage, structural ensembles, alternative conformers and flexibility. SIBYLS develops and applies efficient combined MX and SAXS methods that deliver high-impact results by providing robust cost-effective routes to connect structures to biology and by performing experiments that aid beamline designs for next generationmore » light sources.« less

Authors:
 [1];  [1];  [2];  [1];  [3];  [1];  [1];  [1];  [1];  [4];  [3]
  1. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Physical Bioscience Division
  2. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Physical Bioscience Division; Univ. of California, San Francisco, CA (United States). Dept. of Biochemistry and Biophysics
  3. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Life Sciences Division
  4. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Engineering Division
Publication Date:
Research Org.:
Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division
OSTI Identifier:
1625650
Grant/Contract Number:  
AC02-05CH11231
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Applied Crystallography
Additional Journal Information:
Journal Volume: 46; Journal Issue: 1; Journal ID: ISSN 0021-8898
Publisher:
International Union of Crystallography
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; 59 BASIC BIOLOGICAL SCIENCES; chemistry; crystallography; small-angle X-ray scattering (SAXS); macromolecular crystallography (MX); synchrotron beamlines; SIBYLS

Citation Formats

Classen, Scott, Hura, Greg L., Holton, James M., Rambo, Robert P., Rodic, Ivan, McGuire, Patrick J., Dyer, Kevin, Hammel, Michal, Meigs, George, Frankel, Kenneth A., and Tainer, John A. Implementation and performance of SIBYLS: a dual endstation small-angle X-ray scattering and macromolecular crystallography beamline at the Advanced Light Source. United States: N. p., 2013. Web. doi:10.1107/s0021889812048698.
Classen, Scott, Hura, Greg L., Holton, James M., Rambo, Robert P., Rodic, Ivan, McGuire, Patrick J., Dyer, Kevin, Hammel, Michal, Meigs, George, Frankel, Kenneth A., & Tainer, John A. Implementation and performance of SIBYLS: a dual endstation small-angle X-ray scattering and macromolecular crystallography beamline at the Advanced Light Source. United States. https://doi.org/10.1107/s0021889812048698
Classen, Scott, Hura, Greg L., Holton, James M., Rambo, Robert P., Rodic, Ivan, McGuire, Patrick J., Dyer, Kevin, Hammel, Michal, Meigs, George, Frankel, Kenneth A., and Tainer, John A. Thu . "Implementation and performance of SIBYLS: a dual endstation small-angle X-ray scattering and macromolecular crystallography beamline at the Advanced Light Source". United States. https://doi.org/10.1107/s0021889812048698. https://www.osti.gov/servlets/purl/1625650.
@article{osti_1625650,
title = {Implementation and performance of SIBYLS: a dual endstation small-angle X-ray scattering and macromolecular crystallography beamline at the Advanced Light Source},
author = {Classen, Scott and Hura, Greg L. and Holton, James M. and Rambo, Robert P. and Rodic, Ivan and McGuire, Patrick J. and Dyer, Kevin and Hammel, Michal and Meigs, George and Frankel, Kenneth A. and Tainer, John A.},
abstractNote = {The SIBYLS beamline (12.3.1) of the Advanced Light Source at Lawrence Berkeley National Laboratory, supported by the US Department of Energy and the National Institutes of Health, is optimized for both small-angle X-ray scattering (SAXS) and macromolecular crystallography (MX), making it unique among the world's mostly SAXS or MX dedicated beamlines. Since SIBYLS was commissioned, assessments of the limitations and advantages of a combined SAXS and MX beamline have suggested new strategies for integration and optimal data collection methods and have led to additional hardware and software enhancements. Features described include a dual mode monochromator [containing both Si(111) crystals and Mo/B4C multilayer elements], rapid beamline optics conversion between SAXS and MX modes, active beam stabilization, sample-loading robotics, and mail-in and remote data collection. These features allow users to gain valuable insights from both dynamic solution scattering and high-resolution atomic diffraction experiments performed at a single synchrotron beamline. Key practical issues considered for data collection and analysis include radiation damage, structural ensembles, alternative conformers and flexibility. SIBYLS develops and applies efficient combined MX and SAXS methods that deliver high-impact results by providing robust cost-effective routes to connect structures to biology and by performing experiments that aid beamline designs for next generation light sources.},
doi = {10.1107/s0021889812048698},
journal = {Journal of Applied Crystallography},
number = 1,
volume = 46,
place = {United States},
year = {Thu Jan 17 00:00:00 EST 2013},
month = {Thu Jan 17 00:00:00 EST 2013}
}

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journal, August 2019

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  • Proteins: Structure, Function, and Bioinformatics, Vol. 87, Issue 12
  • DOI: 10.1002/prot.25827

The role of small-angle scattering in structure-based screening applications
journal, October 2018


Structural transition of nanogel star polymers with pH by controlling PEGMA interactions with acid or base copolymers
journal, September 2016


RNF 4 interacts with both SUMO and nucleosomes to promote the DNA damage response
journal, April 2014


Analysis of biostructural changes, dynamics, and interactions – Small-angle X-ray scattering to the rescue
journal, July 2016


Structural Definition of a Unique Neutralization Epitope on the Receptor-Binding Domain of MERS-CoV Spike Glycoprotein
journal, July 2018


SAXS fingerprints of aldehyde dehydrogenase oligomers
journal, December 2015


Envisioning the dynamics and flexibility of Mre11-Rad50-Nbs1 complex to decipher its roles in DNA replication and repair
journal, March 2015

  • Lafrance-Vanasse, Julien; Williams, Gareth J.; Tainer, John A.
  • Progress in Biophysics and Molecular Biology, Vol. 117, Issue 2-3
  • DOI: 10.1016/j.pbiomolbio.2014.12.004

FlaF Is a β-Sandwich Protein that Anchors the Archaellum in the Archaeal Cell Envelope by Binding the S-Layer Protein
journal, May 2015


Structural Basis of Substrate Recognition by Aldehyde Dehydrogenase 7A1
journal, August 2015


Structural Studies of Yeast Δ 1 -Pyrroline-5-carboxylate Dehydrogenase (ALDH4A1): Active Site Flexibility and Oligomeric State
journal, February 2014

  • Pemberton, Travis A.; Srivastava, Dhiraj; Sanyal, Nikhilesh
  • Biochemistry, Vol. 53, Issue 8
  • DOI: 10.1021/bi500048b

Evidence That the C-Terminal Domain of a Type B PutA Protein Contributes to Aldehyde Dehydrogenase Activity and Substrate Channeling
journal, August 2014

  • Luo, Min; Christgen, Shelbi; Sanyal, Nikhilesh
  • Biochemistry, Vol. 53, Issue 35
  • DOI: 10.1021/bi500693a

Exploring the repeat protein universe through computational protein design
journal, December 2015

  • Brunette, Tj; Parmeggiani, Fabio; Huang, Po-Ssu
  • Nature, Vol. 528, Issue 7583
  • DOI: 10.1038/nature16162

Pro-metastatic collagen lysyl hydroxylase dimer assemblies stabilized by Fe2+-binding
journal, February 2018


Structural basis for virulence regulation in Vibrio cholerae by unsaturated fatty acid components of bile
journal, November 2019

  • Cruite, Justin T.; Kovacikova, Gabriela; Clark, Kenzie A.
  • Communications Biology, Vol. 2, Issue 1
  • DOI: 10.1038/s42003-019-0686-x

Three-dimensional Imaging of Crystalline Inclusions Embedded in Intact Maize Stalks
journal, October 2013

  • Badger, John; Lal, Jyotsana; Harder, Ross
  • Scientific Reports, Vol. 3, Issue 1
  • DOI: 10.1038/srep02843

Structural and Functional Analysis of BipA, a Regulator of Virulence in Enteropathogenic Escherichia coli
journal, July 2015

  • Fan, Haitian; Hahm, Joseph; Diggs, Stephen
  • Journal of Biological Chemistry, Vol. 290, Issue 34
  • DOI: 10.1074/jbc.m115.659136

Mechanistic insights into the role of Hop2-Mnd1 in meiotic homologous DNA pairing
journal, October 2013

  • Zhao, W.; Saro, D.; Hammel, M.
  • Nucleic Acids Research, Vol. 42, Issue 2
  • DOI: 10.1093/nar/gkt924

Structure and stereochemistry of the base excision repair glycosylase MutY reveal a mechanism similar to retaining glycosidases
journal, December 2015

  • Woods, Ryan D.; O'Shea, Valerie L.; Chu, Aurea
  • Nucleic Acids Research, Vol. 44, Issue 2
  • DOI: 10.1093/nar/gkv1469

A key interaction with RPA orients XPA in NER complexes
journal, January 2020

  • Topolska-Woś, Agnieszka M.; Sugitani, Norie; Cordoba, John J.
  • Nucleic Acids Research, Vol. 48, Issue 4
  • DOI: 10.1093/nar/gkz1231

The R-factor gap in macromolecular crystallography: an untapped potential for insights on accurate structures
journal, September 2014

  • Holton, James M.; Classen, Scott; Frankel, Kenneth A.
  • The FEBS Journal, Vol. 281, Issue 18
  • DOI: 10.1111/febs.12922

Designing and defining dynamic protein cage nanoassemblies in solution
journal, December 2016


HU multimerization shift controls nucleoid compaction
journal, July 2016

  • Hammel, Michal; Amlanjyoti, Dhar; Reyes, Francis E.
  • Science Advances, Vol. 2, Issue 7
  • DOI: 10.1126/sciadv.1600650

Archaeal Genome Guardians Give Insights into Eukaryotic DNA Replication and Damage Response Proteins
journal, January 2014

  • Shin, David S.; Pratt, Ashley J.; Tainer, John A.
  • Archaea, Vol. 2014
  • DOI: 10.1155/2014/206735

Identifying and Visualizing Macromolecular Flexibility in Structural Biology
journal, September 2016

  • Palamini, Martina; Canciani, Anselmo; Forneris, Federico
  • Frontiers in Molecular Biosciences, Vol. 3
  • DOI: 10.3389/fmolb.2016.00047

Small angle x-ray scattering experiments of monodisperse samples close to the solubility limit
preprint, January 2020


Wedging open a catalytic site
journal, November 2019