MXCuBE3: A New Era of MX-Beamline Control Begins

Müller, Uwe; Thunnissen, Marjolein M.G.M.; Jiang, Nan; Eguiraun, M.; Bolmsten, Fredrick; Milàn-Otero, Antonio; Guijarro, Mathias; Oscarsson, Markus; Sanctis, Daniele de; Leonard, Gordon A.

doi:10.1080/08940886.2017.1267564

Cited by 29 publications

(22 citation statements)

References 28 publications

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“…To meet the resulting high-performance requirements and to help users to manage the large amount of sample information and experimental data produced, but also to ease the user experience for complex experiments, different control and analysis software packages are implemented and actively developed. These are MXCuBE3 (Mueller et al, 2017), ISPyB (Delageniè re et al, 2011), EDNA-MX (Incardona et al, 2009; https://github.com/olofsvensson/edna-mx) and various lowerlevel control systems (see Fig. 8).…”

Section: Experiments Control and Data Evaluationmentioning

confidence: 99%

BioMAX – the first macromolecular crystallography beamline at MAX IV Laboratory

et al. 2020

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BioMAX is the first macromolecular crystallography beamline at the MAX IV Laboratory 3 GeV storage ring, which is the first operational multi-bend achromat storage ring. Due to the low-emittance storage ring, BioMAX has a parallel, high-intensity X-ray beam, even when focused down to 20 µm × 5 µm using the bendable focusing mirrors. The beam is tunable in the energy range 5–25 keV using the in-vacuum undulator and the horizontally deflecting double-crystal monochromator. BioMAX is equipped with an MD3 diffractometer, an ISARA high-capacity sample changer and an EIGER 16M hybrid pixel detector. Data collection at BioMAX is controlled using the newly developed MXCuBE3 graphical user interface, and sample tracking is handled by ISPyB. The computing infrastructure includes data storage and processing both at MAX IV and the Lund University supercomputing center LUNARC. With state-of-the-art instrumentation, a high degree of automation, a user-friendly control system interface and remote operation, BioMAX provides an excellent facility for most macromolecular crystallography experiments. Serial crystallography using either a high-viscosity extruder injector or the MD3 as a fixed-target scanner is already implemented. The serial crystallography activities at MAX IV Laboratory will be further developed at the microfocus beamline MicroMAX, when it comes into operation in 2022. MicroMAX will have a 1 µm × 1 µm beam focus and a flux up to 1015 photons s−1 with main applications in serial crystallography, room-temperature structure determinations and time-resolved experiments.

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Section: Experiments Control and Data Evaluationmentioning

confidence: 99%

BioMAX – the first macromolecular crystallography beamline at MAX IV Laboratory

et al. 2020

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“…The operation is limited to sample-holder lengths (pin and cap) of 22 mm using a SPINE cap standard. The beamline operation can also be performed remotely by the user through an intuitive web-based version of MXCuBE3 (Mueller et al, 2017).…”

Section: Research Papersmentioning

confidence: 99%

FragMAX: the fragment-screening platform at the MAX IV Laboratory

Lima

Talibov

Jagudin

et al. 2020

Acta Cryst Sect D Struct Biol

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Advances in synchrotron storage rings and beamline automation have pushed data-collection rates to thousands of data sets per week. With this increase in throughput, massive projects such as in-crystal fragment screening have become accessible to a larger number of research groups. The quality of support offered at large-scale facilities allows medicinal chemistry-focused or biochemistry-focused groups to supplement their research with structural biology. Preparing the experiment, analysing multiple data sets and prospecting for interesting complexes of protein and fragments require, for both newcomers and experienced users, efficient management of the project and extensive computational power for data processing and structure refinement. Here, FragMAX, a new complete platform for fragment screening at the BioMAX beamline of the MAX IV Laboratory, is described. The ways in which users are assisted in X-ray-based fragment screenings and in which the fourth-generation storage ring available at the facility is best exploited are also described.

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“…Data collection parameters of the scan are set using the MXCuBE3 web application (Mueller et al, 2017). Data are collected with a small degree of rotation for each line ($1-10 ) specified by the user via MXCuBE3.…”

Section: Sample Environments For Ssx At Biomaxmentioning

confidence: 99%

Current status and future opportunities for serial crystallography at MAX IV Laboratory

Shilova

Lebrette

Aurelius

et al. 2020

J Synchrotron Radiat

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Over the last decade, serial crystallography, a method to collect complete diffraction datasets from a large number of microcrystals delivered and exposed to an X-ray beam in random orientations at room temperature, has been successfully implemented at X-ray free-electron lasers and synchrotron radiation facility beamlines. This development relies on a growing variety of sample presentation methods, including different fixed target supports, injection methods using gas-dynamic virtual-nozzle injectors and high-viscosity extrusion injectors, and acoustic levitation of droplets, each with unique requirements. In comparison with X-ray free-electron lasers, increased beam time availability makes synchrotron facilities very attractive to perform serial synchrotron X-ray crystallography (SSX) experiments. Within this work, the possibilities to perform SSX at BioMAX, the first macromolecular crystallography beamline at MAX IV Laboratory in Lund, Sweden, are described, together with case studies from the SSX user program: an implementation of a high-viscosity extrusion injector to perform room temperature serial crystallography at BioMAX using two solid supports – silicon nitride membranes (Silson, UK) and XtalTool (Jena Bioscience, Germany). Future perspectives for the dedicated serial crystallography beamline MicroMAX at MAX IV Laboratory, which will provide parallel and intense micrometre-sized X-ray beams, are discussed.

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MXCuBE3: A New Era of MX-Beamline Control Begins

Cited by 29 publications

References 28 publications

BioMAX – the first macromolecular crystallography beamline at MAX IV Laboratory

BioMAX – the first macromolecular crystallography beamline at MAX IV Laboratory

FragMAX: the fragment-screening platform at the MAX IV Laboratory

Current status and future opportunities for serial crystallography at MAX IV Laboratory

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