Preface

The HKL-2000 suite is a package of programs intended for fast indexing, data reduction, and scaling of X-ray diffraction data collected from a single crystal.

HKL-2000 contains extended versions of the programs included in the HKL package: Denzo, XdisplayF, and Scalepack, as well as several additional utility programs. The strategy and simulation features can help plan the experiment in real-time. The experimenter can adjust the data collection strategy to achieve the desired data completeness. A proper data collection strategy can help avoid later problems in data reduction and structure solution. There is also mosaicity refinement during processing, variable spot size, easy change of the space group, 3-D processing, direct beam position search, report generation, and other tools.

The graphical command center coordinates all the steps of an experiment and enables performing an interactive experiment with on-line data analysis, where results are automatically updated when new data are collected.

The graphical user interface (GUI) greatly simplifies interaction with the underlying suite of programs and improves the convenience of working with various data sets. The interface was designed to be intuitive and allows the user to easily adjust a variety of parameters. It provides a guided path through all steps from data collection to scaling.

This manual aims to describe how to use the GUI to efficiently and accurately process your data. The original manuals for the underlying suite can be found on the HKL Research website. The figures in this manual are for version 717 of the HKL-2000 program. Since the program continues to undergo constant revision and development, the version of the HKL-2000 package you are using may not be the same one described here.

 

To find more about the features of and algorithms used in Denzo and Scalepack, please read the article: Z. Otwinowski and. W. Minor "Denzo & Scalepack" International Tables for Crystallography Volume F: Macromolecular Crystallography, p. 226-235, 2001, M. G. Rossmann, Kluwer Academic Publishers (Dordrecht/Boston/London).

 

Question about the program described here should be directed to Zbyszek Otwinowski or Wladek Minor at the addresses below, with CC: to HKL Research:

HKL WWW homepage:

http://hkl-xray.com

HKL support:

support@hkl-xray.com

HKL Research e-mail

hkl@hkl-xray.com

Zbyszek Otwinowski:

zbyszek@work.swmed.edu

Wladek Minor:

wladek@iwonka.med.virginia.edu

 

To reference the HKL-2000 package for publication, please use the following citation:

Z. Otwinowski and W. Minor, "Processing of X-ray Diffraction Data Collected in Oscillation Mode," Methods in Enzymology, Volume 276: Macromolecular Crystallography, part A, p.307‑326, 1997, C. W. Carter, Jr. & R. M. Sweet, Eds., Academic Press (New York).

 

Denzo®, HKL®, and HKL-2000® are registered trademarks of HKL Research, Inc.