A5065739748- Enzyme Structure and Function
- Protein Structure and Dynamics
- Biochemical and Molecular Research
- X-ray Diffraction in Crystallography
- Advanced Electron Microscopy Techniques and Applications
- Advanced X-ray Imaging Techniques
- Astronomy and Astrophysical Research
- Crystallization and Solubility Studies
- Particle Accelerators and Free-Electron Lasers
- Advanced Data Storage Technologies
- Genomics and Chromatin Dynamics
- RNA and protein synthesis mechanisms
- High-pressure geophysics and materials
- Research Data Management Practices
- DNA and Nucleic Acid Chemistry
- Scientific Computing and Data Management
- Mass Spectrometry Techniques and Applications
- Integrated Circuits and Semiconductor Failure Analysis
- Diatoms and Algae Research
- Crystal Structures and Properties
- Crystallography and molecular interactions
- Ion-surface interactions and analysis
- Bacterial Genetics and Biotechnology
- Genetics, Bioinformatics, and Biomedical Research
- RNA Interference and Gene Delivery
Brookhaven National Laboratory
2020-2023
Australian Synchrotron
2018-2020
Australian Nuclear Science and Technology Organisation
2018-2020
ARC Centre of Excellence in Advanced Molecular Imaging
2018
Monash University
2018
Diamond Light Source
2008-2015
Institute for Solid State Physics and Optics
2011
University of Southern Denmark
2011
Howard Hughes Medical Institute
2005
Stanford Synchrotron Radiation Lightsource
2005
MX2 is an in-vacuum undulator-based crystallography beamline at the 3 GeV Australian Synchrotron. The delivers hard X-rays in energy range 4.8-21 keV to a focal spot of 22 × 12 µm FWHM (H V). At 13 flux sample 3.4 1012 photons s-1. endstation allows robotic handling cryogenic samples via updated SSRL SAM robot. This ideal for weakly diffracting hard-to-crystallize proteins, virus particles, protein assemblies and nucleic acids as well smaller molecules such inorganic catalysts organic drug...
Synchrotron light source facilities worldwide generate terabytes of data in numerous incompatible formats from a wide range experiment types. The Data Analysis WorkbeNch ( DAWN ) was developed to address the challenge providing single visualization and analysis platform for any synchrotron (including single-crystal powder diffraction, tomography spectroscopy), whilst also being sufficiently extensible new specific use case environments be incorporated e.g. ARPES, PEEM). In this work, history...
Despite significant progress in high-throughput methods macromolecular crystallography, the production of diffraction-quality crystals remains a major bottleneck. By recording diffraction situ from their crystallization plates at room temperature, number problems associated with crystal handling and cryoprotection can be side-stepped. Using dedicated goniometer installed on microfocus crystallography beamline I24 Diamond Light Source, have been studied an intense flexible beam, allowing...
A departure from a linear or an exponential intensity decay in the diffracting power of protein crystals as function absorbed dose is reported. The observation lag phase raises possibility collecting significantly more data held at room temperature before intolerable reached. simple model accounting for form reintroduced and applied first time to high frame-rate room-temperature collection.
A novel raster-scanning method combining continuous sample translation with the fast readout of a Pilatus P6M detector has been developed on microfocus beamline I24 at Diamond Light Source. This grid-scan tool allows rapid evaluation large volumes without need to increase beam size through changes in hardware. slow version is available for slow-readout detectors. Examples use centring optically invisible samples and detecting characterizing numerous microcrystals mesh-like holder illustrate...
Two new macromolecular crystallography (MX) beamlines at the National Synchrotron Light Source II, FMX and AMX, opened for general user operation in February 2017 [Schneider et al. (2013). J. Phys. Conf. Ser. 425 , 012003; Fuchs (2014). 493 012021; (2016). AIP Proc. SRI2015 1741 030006]. FMX, micro-focusing Frontier MX beamline sector 17-ID-2 NSLS-II, covers a 5–30 keV photon energy range delivers flux of 4.0 × 10 12 photons s −1 1 Å into µm 1.5 to (V H) variable focus, expected reach 5...
Hoogsteen base pairs within duplex DNA typically are only observed in regions containing significant distortion or near sites of drug intercalation. We report here the observation a pair embedded undistorted, unmodified B-DNA. The pair, consisting syn adenine paired with an anti thymine base, is found 2.1 A resolution structure MATalpha2 homeodomain bound to region where specifically and non-specifically contact overlapping sites. NMR studies free show no evidence formation, suggesting that...
The highly automated macromolecular crystallography beamline AMX/17-ID-1 is an undulator-based high-intensity (>5 × 10 12 photons s −1 ), micro-focus (7 µm 5 µm), low-divergence (1 mrad 0.35 mrad) energy-tunable (5–18 keV) at the NSLS-II, Brookhaven National Laboratory, Upton, NY, USA. It one of three life science beamlines constructed by NIH under ABBIX project and it shares sector 17-ID with FMX beamline, frontier beamline. AMX saw first light in March 2016 started general user...
Here we present two robotic sample changers integrated into the experimental stations for macromolecular crystallography (MX) beamlines AMX and FMX, biological small-angle scattering (bioSAXS) beamline LiX. They enable fully automated unattended data collection remote access to beamlines. The system designs incorporate high-throughput, versatility, high-capacity, resource sharing robustness. All systems are centered around a six-axis industrial arm coupled with force torque sensor in-house...
Release 0.6.6.0 Changes (from 0.6.2.0): Now explicitly invoking python2, instead of python to avoid version conflicts. General script: run_xds2staraniso.sh for runing staraniso from an XDS_ASCII.HKL or XSCALE.HKL file. ## XDSME: Fix usage info Verifying the mean backgroud level DEFPIX step eventually fix scale factors in integrate if starting after INIT step. Removed limitation on maximum number proc. Let xds_par decide. Set default MAXIMUM_NUMBER_OF_JOBS 1 Bug catching critical errors...
Automatic fitting methods that build molecules into electron-density maps usually fail below 3.5 Å resolution. As a first step towards addressing this problem, an algorithm has been developed using approximation of the medial axis to simplify isosurface. This captures central isosurface with graph which is then matched against molecular model. One applications X-ray crystallography presented here. When applied ligand fitting, method performs at least as well based on selecting peaks in maps....
Abstract The 2.1‐Å resolution crystal structure of the MATα2 homeodomain bound to DNA reveals unexpected presence two nonspecifically α2 homeodomains, in addition homeodomains canonical binding sites. One extra makes few base‐specific contacts, while other binds a previously unobserved manner. This unusually is rotated on DNA, making possible major groove contacts by side‐chains that normally do not contact DNA. alternate docking may represent one way which sample nonspecific sequences....
Exceptionally large crystals of posnjakite, Cu 4 SO (OH) 6 (H 2 O), formed during corrosion a Swagelock(tm) Snubber copper gasket within the MX1 beamline at ANSTO-Melbourne, Australian Synchrotron. The crystal structure was solved using synchrotron radiation to R 1 = 0.029 and revealed based upon [Cu O)O] sheets, which contain Jahn–Teller-distorted octahedra. sulfate tetrahedra are bonded one side sheet via corner sharing linked successive sheets extensive hydrogen bonds. split rotated,...
CrysAlis Pro , the software for controlling data collection and reduction Agilent's single crystal X-ray diffractometers, contains easy to use features variable temperature wavelength studies.The results presented here show how many multi-temperature experiments identify a clear phase transition of spin crossover compound during ramping.The Cryojet (manufactured by Oxford Instruments) was used study at 5° intervals controlled within ±0.1° from room 100K.An example is shown in figure...
Sessions C483important resource for the international research community.Currently there are two operational undulator beamlines: 24ID-C -fully tunable in energy range from 6 to 22keV (cover most element edges phasing) and 24ID-E -fixed at ~12.66keV (optimized Se SAD experiments).These beamlines currently open NE-CAT members general APS users.Both fully equipped with state-of-theart instrumentation its users.MD2 microdiffractometers installed both provide very clean beams 5 microns 100...
Recent years have seen a growth of new experiments (beyond the rotation, helical, and rastering data collections that comprise standard protocols) becoming available at synchrotron macromolecular crystallography (MX) beamlines.To enable continued sustainable development these methods, such as serial via fixed target or extruders, time resolved experiments, room temperature tray scans, we recently adapted Life Science Data Collection software (LSDC), developed for AMX [1]and FMX [2] beamlines...
MSMicrosymposia from the device is monochromatized with liquid-N2 cooled double crystal monochromator, and will be focused by using K-B mirrors fabricated Elastic Emission Machinery.Ray trace calculation designed configurations shows achievable beam size at sample position corresponds to 1 x 2 µm 10 phtons/sec.Beam changeable about 1~25 according experiments.The new beamline largely benefits users cutting off their wasting time optimize crystallization conditions especially for smaller lower...