MXCuBE2: the dawn of MXCuBE Collaboration

Abstract

MXCuBE2 is the second-generation evolution of the MXCuBE beamline control software, initially developed and used at ESRF – the European Synchrotron. MXCuBE2 extends, in an intuitive graphical user interface (GUI), the functionalities and data collection methods available to users while keeping all previously available features and allowing for the straightforward incorporation of ongoing and future developments. MXCuBE2 introduces an extended abstraction layer that allows easy interfacing of any kind of macromolecular crystallography (MX) hardware component, whether this is a diffractometer, sample changer, detector or optical element. MXCuBE2 also works in strong synergy with the ISPyB Laboratory Information Management System, accessing the list of samples available for a particular experimental session and associating, either from instructions contained in ISPyB or from user input via the MXCuBE2 GUI, different data collection types to them. The development of MXCuBE2 forms the core of a fruitful collaboration which brings together several European synchrotrons and a software development factory and, as such, defines a new paradigm for the development of beamline control platforms for the European MX user community.

Visualization of protein crystals by high-energy phase-contrast X-ray imaging

“…Use of the existing optical microscopy for pre-alignment, the diffractometer for highly precise positioning and for sample rotation to acquire tomographic series, and the existing motorization of the detector table for rapid toggling between the collection of X-ray diffraction or X-ray imaging data allows swift integration of X-ray imaging of crystal mounts into the standard workflow of crystallographic data collection. As a first step, we are pursuing a project towards presenting the user with a 3D tomogram for three-click centering in the MXCuBE user interface (Oscarsson et al, 2019) in operation on P14. At a later stage, a 3D tomogram could be automatically acquired and crystals sought using available segmentation algorithms (Spina et al, 2018).…”

“…The 'unfocused' configuration of the beamline refers to a configuration in which neither compound refractive lenses nor X-ray mirrors interfere with the beam. The beamline is controlled via the MXCuBE graphical user interface (Gabadinho et al, 2010;Oscarsson et al, 2019); experimental parameters and intermediate results are stored in the attached ISPyB database (Delageniè re et al, 2011).…”

BioMAX – the first macromolecular crystallography beamline at MAX IV Laboratory

“…MXCuBE3 is the central beamline control software for users to carry out their crystallography experiments, either on-site or remotely. The MXCuBE project (Macromolecular Xtallography Customized Beamline Environment) (Gabadinho et al, 2010;Oscarsson et al, 2019) is supported by most synchrotron facilities in Europe. MXCuBE3 is, currently, the latest version, which takes advantage of web technology and was designed to be intuitive and userfriendly (see Fig.…”

ID30A-3 (MASSIF-3) – a beamline for macromolecular crystallography at the ESRF with a small intense beam

“…Low-level control of all beamline components and communication with the PMAC controller of the MD2 is provided by the newly developed ESRF standard software BLISS (Beamline Instrumentation Support Software; https:// gitlab.esrf.fr/bliss/bliss; Guijarro et al, 2017). BLISS commands are mostly accessed transparently from the beamline control GUI MXCuBE2 (Gabadinho et al, 2010;Oscarsson et al, 2019), but, for troubleshooting, a terminal interface is also available. All motors except those of the MD2 and that of the millisecond fast shutter are controlled by ESRF-developed IcePAP electronics (Janvier et al, 2013) and pneumatically driven devices are controlled by WAGO control modules (https://www.wago.com).…”

“…Users collect diffraction data via the MXCuBE2 GUI (Gabadinho et al, 2010;Oscarsson et al, 2019) which is the standard interface on all MX beamlines at the ESRF. The metadata of each data collection are stored in the ISPyB database (Delageniè re et al, 2011) and can be recalled through the web-service EXI (https://exi.esrf.fr).…”