Data collection, processing and structure solution software

Complete unified software solution for protein crystallography

HKL-3000R

HKL-3000R represents a new approach in crystallographic data collection software that integrates data collection, data reduction, phasing and model building into a single package. This approach significantly accelerates the process of structure determination and on average minimizes the number of crystals, data sets and time required for structure solution.

HKL-3000R Is the Most Widely Used Processing Package for Protein Diffraction Data

At the heart of HKL-3000R lies the most powerful data processing package in the world, HKL-2000. Evidence for this can be seen in the statistics of protein structure submissions to the PDB. No other processing package, commercial or public domain, comes close to matching HKL-2000 in terms of the number of PDB references.

HKL-3000R is User Friendly

HKL-3000R is a single user interface that allows for data processing and structure solution. The structure solution pipeline inherent to HKL-3000R seamlessly transfers output from one step to the next. Strategic stopping points are provided in the structure solution software to prevent the pitfalls commonly associated with black-box crystallography.

In most cases, using the default settings of the program results in a highly complete model of a macromolecule.

The software can be run in semiautomatic mode, allowing the experimenter to check and change important parameters during diffraction data processing and structure elucidation. During each step, the software provides helpful graphs and tables to analyze results and outcome. These feedback tools are valuable for optimizing parameters for subsequent steps and facilitate the structure solution process. This approach significantly accelerates the process of structure determination and, on average, minimizes the number of crystals, data sets and time required for structure solution.

HKL-3000R
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Features

  • HKL-3000R controls the data collection instrument.
  • Data collection strategy calculation for single and multiple axes goniometers.
  • Raw image data reduction and analysis by industry standard HKL-2000
  • Structure solution pipeline uses industry standard software packages (CCP4, SHELX, ARP/wARP, Coot, etc.)
  • Communication with standard databases (PDB, SwissProt)
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