Weissenberg camera for macromolecular crystal. Data processing.

Data Processing in Macromolecular Crystallography

Data processing in macromolecular crystallography is the effort by which a user converts a set of raw diffraction data into a list of Bragg reflections with measured intensities. With modern crystallographic hardware the raw data consists of a set of twodimensional detector images, each collected at a particular orientation of the crystal. Data processing may be broken down into four steps: cal...

Macromolecular crystal quality.

MeshAndCollect: an automated multi-crystal data-collection workflow for synchrotron macromolecular crystallography beamlines

Here, an automated procedure is described to identify the positions of many cryocooled crystals mounted on the same sample holder, to rapidly predict and rank their relative diffraction strengths and to collect partial X-ray diffraction data sets from as many of the crystals as desired. Subsequent hierarchical cluster analysis then allows the best combination of partial data sets, optimizing th...

New paradigm for macromolecular crystallography experiments at SSRL: automated crystal screening and remote data collection

Complete automation of the macromolecular crystallography experiment has been achieved at SSRL through the combination of robust mechanized experimental hardware and a flexible control system with an intuitive user interface. These highly reliable systems have enabled crystallography experiments to be carried out from the researchers' home institutions and other remote locations while retaining...

REFMAC5 for the refinement of macromolecular crystal structures

This paper describes various components of the macromolecular crystallographic refinement program REFMAC5, which is distributed as part of the CCP4 suite. REFMAC5 utilizes different likelihood functions depending on the diffraction data employed (amplitudes or intensities), the presence of twinning and the availability of SAD/SIRAS experimental diffraction data. To ensure chemical and structura...