Results 111 to 120 of about 3,653 (216)

GoniOwl: convolutional neural network‐based sample state detection for collision prevention on synchrotron beamlines

Journal of Synchrotron Radiation, EarlyView.
GoniOwl, a lightweight convolutional neural network integrated into the EPICS control system, detects sample‐pin presence from beamline camera images with >99% accuracy and fail‐safe uncertainty handling, offering a transferable approach to vision‐based collision prevention on synchrotron beamlines.Preventing collisions during automated sample exchange
Christian M. Orr, James O'Hea, Armin Wagner   +2 more
wiley   +1 more source

Structure design and implementation of a water cooling sub‐20 nm multilayer Kirkpatrick–Baez mirror system in the Structural Dynamics beamline ID23 at HEPS

Journal of Synchrotron Radiation, EarlyView.
A water‐cooling nano multilayer Kirkpatrick–Baez mirrors system has been implemented at ID23 HEPS. The focal spot size of 13.39 nm × 15.15 nm (H × V) at a photon energy of 21.8 keV demonstrates the system's performance.The first water‐cooling nano multilayer Kirkpatrick–Baez mirror system in the Structural Dynamics beamline (ID23) at High Energy Photon
Ruiying Liao, Haihan Yu, Jianye Wang, Xue Wang, Changrui Zhang, Wenkai Kang, Ling Fan, Chunxia Yao, Penghao Hou, Darui Sun, Fang Liu, Lu Zhang, Zhaoqiang Cui, Zhongrui Ren, Zina Ou, Ruzhen Xu, Duanyang Fu, Yuhang Wang, Pengcheng Li, Chenglong Zhang, Lingzhu Bian, Miao Zhang, Zhanxin Gu, Zhe Li, Zhibang Shen, Lidan Gao, Bingbing Zhang, Shanzhi Tang, Ming Li, Weifan Sheng   +29 more
wiley   +1 more source

Diverse DTPA‐chelated lanthanides with relevance for nuclear medicine bound to an engineered lipocalin reveal conserved ligand geometry

Acta Crystallographica Section F, EarlyView.
Structural and binding studies of the engineered lipocalin CL31d towards the chelate complexes of 11 different lanthanide and main‐group metal(III) ions, whose radioisotopes are useful for nuclear medicine, with a functionalized DTPA revealed a surprisingly broad tolerance towards varying ionic radii, thus enabling flexible radionuclide‐targeting ...
Alina Mirwald, Andreas Eichinger, Arne Skerra   +2 more
wiley   +1 more source

Influence of heme and pH on the oligomeric states of Brucella melitensis bacterioferritin

Acta Crystallographica Section D, EarlyView.
The oligomerization of B. melitensis bacterioferritin (BmBfr) was studied using X‐ray crystallography, size‐exclusion chromatography and thermal shift analysis. These techniques allowed the characterization of both apo and holo BmBfr, highlighting the impact of heme and pH on the oligomerization mechanism.Bacterioferritin from Brucella melitensis ...
Tanguy Scaillet, Clément Champagne, Johan Wouters   +2 more
wiley   +1 more source

Room‐temperature crystal structure of a metal‐dependent W‐formate dehydrogenase by serial synchrotron crystallography

Acta Crystallographica Section D, EarlyView.
We report a room‐temperature serial synchrotron X‐ray crystallographic structural analysis of Nitratidesulfovibrio vulgaris formate dehydrogenase AB, an enzyme that reduces CO2 to formate.Metal‐dependent formate dehydrogenases (Fdhs) are a promising research target in efforts to mitigate climate change by developing active, efficient, selective and ...
Guilherme Vilela-Alves, Guilherme Martins, David von Stetten, Pedram Mehrabi, Inês A. C. Pereira, Maria João Romão, Arwen R. Pearson, Cristiano Mota   +7 more
wiley   +1 more source

Avoiding pitfalls when modelling ligands in macromolecular crystallography

Acta Crystallographica Section D, EarlyView.
Flawed protein–ligand X‐ray structures can misdirect drug discovery based on PDB‐deposited models. This review uses publicly available PDB examples to highlight potential pitfalls, from absent ligands to incorrect chemistry, and presents a practical validation approach to improve model reliability.The determination of protein–ligand complex structures ...
Oliver S. Smart, Andrew Sharff, Claus Flensburg, Clemens Vonrhein, Gérard Bricogne   +4 more
wiley   +1 more source

Towards routine accurate electron‐density studies of biological macromolecules

Acta Crystallographica Section D, EarlyView.
Here, we describe the determination of the highest resolution structure in the PDB at 0.43 Å resolution. Electron‐density maps reveal extensive deformation electron density that is completely accounted for by performing transferable aspherical atom refinements using the DiSCaMB library in BUSTER.We report here the structure of Pyrococcus abyssi ...
Elham Paknia, Claus Flensburg, Michal Leszek Chodkiewicz, Rasmus H. Fogh, Peter Keller, Clemens Vonrhein, Clemens Schulze-Briese, Paulina Maria Dominiak, Gleb Bourenkov, Gérard Bricogne, Ashwin Chari   +10 more
wiley   +1 more source

Scalable fabrication of an array-type fixed-target device for automated room temperature X-ray protein crystallography

Scientific Reports
X-ray crystallography is one of the leading tools to analyze the 3-D structure, and therefore, function of proteins and other biological macromolecules. Traditional methods of mounting individual crystals for X-ray diffraction analysis can be tedious and
Sarthak Saha, Yaozu Chen, Silvia Russi, Darya Marchany-Rivera, Aina Cohen, Sarah L. Perry   +5 more
doaj   +1 more source

Sample extractor for serial crystallography at XFELs and synchrotron sources [PDF]

Acta Crystallographica Section A Foundations and Advances, 2017
Irimpan Mathews, Aina Cohen, Artem Lyubimov, Michael Soltis   +3 more
openaire   +1 more source

Water, water, every where—the advent of hydrated pili structure

The FEBS Journal, EarlyView.
Protein structure is defined by its surrounding water. Naturally, this is also true for the gigantic protein filaments that pathogenic bacteria use to attach to and colonize their host cells. Structures of these filaments for which water can be identified with high confidence have stayed elusive for the longest time.
Hiroya Oki, Hideki Shigematsu, Kazuki Kawahara, Christoph Gerle   +3 more
wiley   +1 more source