Literature DB >> 29861344

Against Method: Table 1-Cui Bono?

Bernhard Rupp1.   

Abstract

The almost universally required "Table 1," summarizing data-collection and data-processing statistics, has in its present form outlived its usefulness in almost all publications of biomolecular crystal structure reports. Information contained in "Table 1" is insufficient to evaluate or repeat the experiment; is redundant with information extractable from deposited diffraction data; and includes data items whose meaning is under increased scrutiny in the crystallographic community. Direct and consistent extraction and analysis of data quality metrics from preferably unmerged intensity data with graphical presentation of reciprocal space features, including impact on map and model features, should replace "Table 1."
Copyright © 2018 Elsevier Ltd. All rights reserved.

Entities:  

Keywords:  data collection statistics; data quality indicators; diffraction data analysis; diffraction data presentation; merging statistics; reciprocal space

Mesh:

Substances:

Year:  2018        PMID: 29861344     DOI: 10.1016/j.str.2018.04.013

Source DB:  PubMed          Journal:  Structure        ISSN: 0969-2126            Impact factor:   5.006


  4 in total

1.  Optimal structure determination from sub-optimal diffraction data.

Authors:  Wladek Minor; Marcin Cymborowski; Dominika Borek; David R Cooper; Maksymilian Chruszcz; Zbyszek Otwinowski
Journal:  Protein Sci       Date:  2021-11-24       Impact factor: 6.725

2.  What are the current limits on determination of protonation state using neutron macromolecular crystallography?

Authors:  Dorothee Liebschner; Pavel V Afonine; Nigel W Moriarty; Paul D Adams
Journal:  Methods Enzymol       Date:  2020-02-13       Impact factor: 1.600

Review 3.  Discerning best practices in XFEL-based biological crystallography - standards for nonstandard experiments.

Authors:  Alexander Gorel; Ilme Schlichting; Thomas R M Barends
Journal:  IUCrJ       Date:  2021-06-30       Impact factor: 4.769

4.  Controlled dehydration, structural flexibility and gadolinium MRI contrast compound binding in the human plasma glycoprotein afamin.

Authors:  Andreas Naschberger; Pauline Juyoux; Jill von Velsen; Bernhard Rupp; Matthew W Bowler
Journal:  Acta Crystallogr D Struct Biol       Date:  2019-11-19       Impact factor: 7.652

  4 in total

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