Literature DB >> 28573573

Collection of X-Ray Diffraction Data from Macromolecular Crystals.

Zbigniew Dauter1.   

Abstract

Diffraction data acquisition is the final experimental stage of the crystal structure analysis. All subsequent steps involve mainly computer calculations. Optimally measured and accurate data make the structure solution and refinement easier and lead to more faithful interpretation of the final models. Here, the important factors in data collection from macromolecular crystals are discussed and strategies appropriate for various applications, such as molecular replacement, anomalous phasing, and atomic-resolution refinement are presented. Criteria useful for judging the diffraction data quality are also discussed.

Entities:  

Keywords:  Data collection strategy; Diffraction data collection; Diffraction data quality

Mesh:

Substances:

Year:  2017        PMID: 28573573      PMCID: PMC5557013          DOI: 10.1007/978-1-4939-7000-1_7

Source DB:  PubMed          Journal:  Methods Mol Biol        ISSN: 1064-3745


  13 in total

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Journal:  Acta Crystallogr D Biol Crystallogr       Date:  1999-10

2.  Substructure solution with SHELXD.

Authors:  Thomas R Schneider; George M Sheldrick
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3.  On the routine use of soft X-rays in macromolecular crystallography. Part III. The optimal data-collection wavelength.

Authors:  Christoph Mueller-Dieckmann; Santosh Panjikar; Paul A Tucker; Manfred S Weiss
Journal:  Acta Crystallogr D Biol Crystallogr       Date:  2005-08-16

4.  Detecting and overcoming crystal twinning.

Authors:  T O Yeates
Journal:  Methods Enzymol       Date:  1997       Impact factor: 1.600

5.  Estimation of the quality of refined protein crystal structures.

Authors:  Jimin Wang
Journal:  Protein Sci       Date:  2015-03-11       Impact factor: 6.725

6.  Linking crystallographic model and data quality.

Authors:  P Andrew Karplus; Kay Diederichs
Journal:  Science       Date:  2012-05-25       Impact factor: 47.728

7.  Weak data do not make a free lunch, only a cheap meal.

Authors:  Zhipu Luo; Kanagalaghatta Rajashankar; Zbigniew Dauter
Journal:  Acta Crystallogr D Biol Crystallogr       Date:  2014-01-17

8.  Radiation damage in macromolecular crystallography: what is it and why should we care?

Authors:  Elspeth F Garman
Journal:  Acta Crystallogr D Biol Crystallogr       Date:  2010-03-24

Review 9.  Scaling and assessment of data quality.

Authors:  Philip Evans
Journal:  Acta Crystallogr D Biol Crystallogr       Date:  2005-12-14

10.  How good are my data and what is the resolution?

Authors:  Philip R Evans; Garib N Murshudov
Journal:  Acta Crystallogr D Biol Crystallogr       Date:  2013-06-13
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  5 in total

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2.  The Integrated Resource for Reproducibility in Macromolecular Crystallography: Experiences of the first four years.

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3.  Novel Papaverine Metal Complexes with Potential Anticancer Activities.

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Journal:  Molecules       Date:  2020-11-20       Impact factor: 4.411

Review 4.  Evaluation of models determined by neutron diffraction and proposed improvements to their validation and deposition.

Authors:  Dorothee Liebschner; Pavel V Afonine; Nigel W Moriarty; Paul Langan; Paul D Adams
Journal:  Acta Crystallogr D Struct Biol       Date:  2018-07-24       Impact factor: 7.652

5.  Getting the Most Out of Your Crystals: Data Collection at the New High-Flux, Microfocus MX Beamlines at NSLS-II.

Authors:  Michelle S Miller; Sweta Maheshwari; Wuxian Shi; Yuan Gao; Nam Chu; Alexei S Soares; Philip A Cole; L Mario Amzel; Martin R Fuchs; Jean Jakoncic; Sandra B Gabelli
Journal:  Molecules       Date:  2019-01-30       Impact factor: 4.411

  5 in total

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