Literature DB >> 20516627

De-icing: recovery of diffraction intensities in the presence of ice rings.

Michael S Chapman1, Thayumanasamy Somasundaram.   

Abstract

Macromolecular structures are routinely determined at cryotemperatures using samples flash-cooled in the presence of cryoprotectants. However, sometimes the best diffraction is obtained under conditions where ice formation is not completely ablated, with the result that characteristic ice rings are superimposed on the macromolecular diffraction. In data processing, the reflections that are most affected by the ice rings are usually excluded. Here, an alternative approach of subtracting the ice diffraction is tested. High completeness can be retained with little adverse effect upon the quality of the integrated data. This offers an alternate strategy when high levels of cryoprotectant lead to loss of crystal quality.

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Year:  2010        PMID: 20516627      PMCID: PMC2879358          DOI: 10.1107/S0907444910012436

Source DB:  PubMed          Journal:  Acta Crystallogr D Biol Crystallogr        ISSN: 0907-4449


  6 in total

Review 1.  Cryocooling and radiation damage in macromolecular crystallography.

Authors:  Elspeth F Garman; Robin Leslie Owen
Journal:  Acta Crystallogr D Biol Crystallogr       Date:  2005-12-14

2.  XDS.

Authors:  Wolfgang Kabsch
Journal:  Acta Crystallogr D Biol Crystallogr       Date:  2010-01-22

Review 3.  Evolution and physiological roles of phosphagen systems.

Authors:  W R Ellington
Journal:  Annu Rev Physiol       Date:  2001       Impact factor: 19.318

4.  Induced fit in guanidino kinases--comparison of substrate-free and transition state analog structures of arginine kinase.

Authors:  Mohammad S Yousef; Shawn A Clark; Pamela K Pruett; Thayumanasamy Somasundaram; W Ross Ellington; Michael S Chapman
Journal:  Protein Sci       Date:  2003-01       Impact factor: 6.725

5.  A logical OR redundancy within the Asx-Pro-Asx-Gly type I beta-turn motif.

Authors:  Jihun Lee; Vikash Kumar Dubey; Liam M Longo; Michael Blaber
Journal:  J Mol Biol       Date:  2008-01-31       Impact factor: 5.469

Review 6.  The integration of macromolecular diffraction data.

Authors:  Andrew G W Leslie
Journal:  Acta Crystallogr D Biol Crystallogr       Date:  2005-12-14
  6 in total
  8 in total

1.  Arginine kinase: joint crystallographic and NMR RDC analyses link substrate-associated motions to intrinsic flexibility.

Authors:  Xiaogang Niu; Lei Bruschweiler-Li; Omar Davulcu; Jack J Skalicky; Rafael Brüschweiler; Michael S Chapman
Journal:  J Mol Biol       Date:  2010-11-12       Impact factor: 5.469

2.  Rate-limiting domain and loop motions in arginine kinase.

Authors:  Omar Davulcu; Jack J Skalicky; Michael S Chapman
Journal:  Biochemistry       Date:  2011-04-22       Impact factor: 3.162

3.  Effects of cryoprotectants on the structure and thermostability of the human carbonic anhydrase II-acetazolamide complex.

Authors:  Mayank Aggarwal; Christopher D Boone; Bhargav Kondeti; Chingkuang Tu; David N Silverman; Robert McKenna
Journal:  Acta Crystallogr D Biol Crystallogr       Date:  2013-04-19

4.  Data processing and analysis with the autoPROC toolbox.

Authors:  Clemens Vonrhein; Claus Flensburg; Peter Keller; Andrew Sharff; Oliver Smart; Wlodek Paciorek; Thomas Womack; Gérard Bricogne
Journal:  Acta Crystallogr D Biol Crystallogr       Date:  2011-03-18

5.  AUSPEX: a graphical tool for X-ray diffraction data analysis.

Authors:  Andrea Thorn; James Parkhurst; Paul Emsley; Robert A Nicholls; Melanie Vollmar; Gwyndaf Evans; Garib N Murshudov
Journal:  Acta Crystallogr D Struct Biol       Date:  2017-08-08       Impact factor: 7.652

6.  The crystal structure of AbsH3: A putative flavin adenine dinucleotide-dependent reductase in the abyssomicin biosynthesis pathway.

Authors:  Jonathan A Clinger; Xiachang Wang; Wenlong Cai; Yanyan Zhu; Mitchell D Miller; Chang-Guo Zhan; Steven G Van Lanen; Jon S Thorson; George N Phillips
Journal:  Proteins       Date:  2020-10-21

7.  Background modelling of diffraction data in the presence of ice rings.

Authors:  James M Parkhurst; Andrea Thorn; Melanie Vollmar; Graeme Winter; David G Waterman; Luis Fuentes-Montero; Richard J Gildea; Garib N Murshudov; Gwyndaf Evans
Journal:  IUCrJ       Date:  2017-08-08       Impact factor: 4.769

8.  Detecting ice artefacts in processed macromolecular diffraction data with machine learning.

Authors:  Kristopher Nolte; Yunyun Gao; Sabrina Stäb; Philip Kollmannsberger; Andrea Thorn
Journal:  Acta Crystallogr D Struct Biol       Date:  2022-01-21       Impact factor: 7.652

  8 in total

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