skip to main content
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Best practices for high data-rate macromolecular crystallography (HDRMX)

Authors:
ORCiD logo [1]; ORCiD logo [2];  [1];  [3];  [4];  [5]; ORCiD logo [3]; ORCiD logo [6];  [4];  [6]
  1. Ronin Institute for Independent Scholarship, c/o NSLS-II Bldg 745, Brookhaven National Laboratory, Upton, New York 11973, USA
  2. Ronin Institute for Independent Scholarship, 9515 NE 137th St., Kirkland, Washington 98034, USA
  3. Brookhaven National Laboratory, NSLS-II Bldg 745, Upton, New York 11973, USA
  4. Stony Brook University, Stony Brook, New York 11794, USA
  5. Lawrence Berkeley National Laboratory, 1 Cyclotron Rd., Berkeley, California 94720, USA
  6. Mount Sinai High School, 110 N Country Rd., Mt Sinai, New York 11766, USA
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1581838
Grant/Contract Number:  
AC02-98CH10886; E-SC0012704
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Structural Dynamics
Additional Journal Information:
Journal Name: Structural Dynamics Journal Volume: 7 Journal Issue: 1; Journal ID: ISSN 2329-7778
Publisher:
American Institute of Physics
Country of Publication:
United States
Language:
English

Citation Formats

Bernstein, Herbert J., Andrews, Lawrence C., Diaz, Jr., Jorge A., Jakoncic, Jean, Nguyen, Thu, Sauter, Nicholas K., Soares, Alexei S., Wei, Justin Y., Wlodek, Maciej R., and Xerri, Mario A. Best practices for high data-rate macromolecular crystallography (HDRMX). United States: N. p., 2020. Web. doi:10.1063/1.5128498.
Bernstein, Herbert J., Andrews, Lawrence C., Diaz, Jr., Jorge A., Jakoncic, Jean, Nguyen, Thu, Sauter, Nicholas K., Soares, Alexei S., Wei, Justin Y., Wlodek, Maciej R., & Xerri, Mario A. Best practices for high data-rate macromolecular crystallography (HDRMX). United States. doi:10.1063/1.5128498.
Bernstein, Herbert J., Andrews, Lawrence C., Diaz, Jr., Jorge A., Jakoncic, Jean, Nguyen, Thu, Sauter, Nicholas K., Soares, Alexei S., Wei, Justin Y., Wlodek, Maciej R., and Xerri, Mario A. Wed . "Best practices for high data-rate macromolecular crystallography (HDRMX)". United States. doi:10.1063/1.5128498.
@article{osti_1581838,
title = {Best practices for high data-rate macromolecular crystallography (HDRMX)},
author = {Bernstein, Herbert J. and Andrews, Lawrence C. and Diaz, Jr., Jorge A. and Jakoncic, Jean and Nguyen, Thu and Sauter, Nicholas K. and Soares, Alexei S. and Wei, Justin Y. and Wlodek, Maciej R. and Xerri, Mario A.},
abstractNote = {},
doi = {10.1063/1.5128498},
journal = {Structural Dynamics},
number = 1,
volume = 7,
place = {United States},
year = {2020},
month = {1}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.1063/1.5128498

Save / Share:

Works referenced in this record:

The geometry of Niggli reduction: BGAOL –embedding Niggli reduction and analysis of boundaries
journal, January 2014

  • Andrews, Lawrence C.; Bernstein, Herbert J.
  • Journal of Applied Crystallography, Vol. 47, Issue 1
  • DOI: 10.1107/S1600576713031002

Determination of Patterson group symmetry from sparse multi-crystal data sets in the presence of an indexing ambiguity
journal, April 2018

  • Gildea, Richard J.; Winter, Graeme
  • Acta Crystallographica Section D Structural Biology, Vol. 74, Issue 5
  • DOI: 10.1107/S2059798318002978

A perturbation stable cell comparison technique
journal, March 1980

  • Andrews, L. C.; Bernstein, H. J.; Pelletier, G. A.
  • Acta Crystallographica Section A, Vol. 36, Issue 2
  • DOI: 10.1107/S0567739480000496

Exploring structural homology of proteins
journal, July 1976


Improved statistics for determining the Patterson symmetry from unmerged diffraction intensities
journal, March 2006

  • Sauter, Nicholas K.; Grosse-Kunstleve, Ralf W.; Adams, Paul D.
  • Journal of Applied Crystallography, Vol. 39, Issue 2
  • DOI: 10.1107/S0021889805042299

CrystFEL : a software suite for snapshot serial crystallography
journal, March 2012

  • White, Thomas A.; Kirian, Richard A.; Martin, Andrew V.
  • Journal of Applied Crystallography, Vol. 45, Issue 2
  • DOI: 10.1107/S0021889812002312

Data Exploration Toolkit for serial diffraction experiments
journal, January 2015

  • Zeldin, Oliver B.; Brewster, Aaron S.; Hattne, Johan
  • Acta Crystallographica Section D Biological Crystallography, Vol. 71, Issue 2
  • DOI: 10.1107/S1399004714025875

Clustering procedures for the optimal selection of data sets from multiple crystals in macromolecular crystallography
journal, July 2013

  • Foadi, James; Aller, Pierre; Alguel, Yilmaz
  • Acta Crystallographica Section D Biological Crystallography, Vol. 69, Issue 8
  • DOI: 10.1107/S0907444913012274

Accelerating k -nearest-neighbor searches
journal, August 2016

  • Bernstein, Herbert J.; Andrews, Lawrence C.
  • Journal of Applied Crystallography, Vol. 49, Issue 5
  • DOI: 10.1107/S1600576716011353

Dissecting random and systematic differences between noisy composite data sets
journal, March 2017


Getting the Most Out of Your Crystals: Data Collection at the New High-Flux, Microfocus MX Beamlines at NSLS-II
journal, January 2019


Detection and correction of underassigned rotational symmetry prior to structure deposition
journal, April 2010

  • Poon, Billy K.; Grosse-Kunstleve, Ralf W.; Zwart, Peter H.
  • Acta Crystallographica Section D Biological Crystallography, Vol. 66, Issue 5
  • DOI: 10.1107/S0907444910001502

FATCAT: a web server for flexible structure comparison and structure similarity searching
journal, July 2004

  • Ye, Y.; Godzik, A.
  • Nucleic Acids Research, Vol. 32, Issue Web Server
  • DOI: 10.1093/nar/gkh430

The Protein Data Bank
journal, January 2000


KAMO : towards automated data processing for microcrystals
journal, April 2018

  • Yamashita, Keitaro; Hirata, Kunio; Yamamoto, Masaki
  • Acta Crystallographica Section D Structural Biology, Vol. 74, Issue 5
  • DOI: 10.1107/S2059798318004576

Scaling and assessment of data quality
journal, December 2005

  • Evans, Philip
  • Acta Crystallographica Section D Biological Crystallography, Vol. 62, Issue 1, p. 72-82
  • DOI: 10.1107/S0907444905036693

Automated data collection and real-time data analysis suite for serial synchrotron crystallography
journal, January 2019

  • Basu, Shibom; Kaminski, Jakub W.; Panepucci, Ezequiel
  • Journal of Synchrotron Radiation, Vol. 26, Issue 1
  • DOI: 10.1107/S1600577518016570

An alternate description of two crystal structures of phospholipase A 2 from Bungarus caeruleus
journal, March 2007

  • Le Trong, Isolde; Stenkamp, Ronald E.
  • Acta Crystallographica Section D Biological Crystallography, Vol. 63, Issue 4
  • DOI: 10.1107/S0907444907007354

Robust indexing for automatic data collection
journal, May 2004

  • Sauter, Nicholas K.; Grosse-Kunstleve, Ralf W.; Adams, Paul D.
  • Journal of Applied Crystallography, Vol. 37, Issue 3
  • DOI: 10.1107/S0021889804005874

Lattices and reduced cells as points in 6-space and selection of Bravais lattice type by projections
journal, November 1988

  • Andrews, L. C.; Bernstein, H. J.
  • Acta Crystallographica Section A Foundations of Crystallography, Vol. 44, Issue 6
  • DOI: 10.1107/S0108767388006427

The protein data bank: A computer-based archival file for macromolecular structures
journal, May 1977

  • Bernstein, Frances C.; Koetzle, Thomas F.; Williams, Graheme J. B.
  • Journal of Molecular Biology, Vol. 112, Issue 3
  • DOI: 10.1016/S0022-2836(77)80200-3

A space for lattice representation and clustering
journal, April 2019

  • Andrews, Lawrence C.; Bernstein, Herbert J.; Sauter, Nicholas K.
  • Acta Crystallographica Section A Foundations and Advances, Vol. 75, Issue 3
  • DOI: 10.1107/S2053273319002729

Selling reduction versus Niggli reduction for crystallographic lattices
journal, January 2019

  • Andrews, Lawrence C.; Bernstein, Herbert J.; Sauter, Nicholas K.
  • Acta Crystallographica Section A Foundations and Advances, Vol. 75, Issue 1
  • DOI: 10.1107/S2053273318015413