Beamline I23 - Diamond Light Source

@davidmpyle @OxfordGradStudy @PhDs_For_EDI @BlackInPlantSci @NCEOscience @UKRI_News @NERCscience @oxfordenvsust @ReedEcolNet @blackgeogorg #EnvironmentalScience #LifeScience #GoingToOxford #ActionNotWords

AnACor2.0, the code for analytical absorption corrections now GPU-accelerated. Second paper of our fruitful collaboration with #OxfordEngineering.

Great to have the opportunity to present today at the @BioExcelCoE conference in Brno! @CCI_UoS @sotonbiosci

Successfully entered the world of Science Comedy last week. This better not awaken anything in me (it definitely has).

Metal ions play key roles in the catalytic activity of DNA-regulating enzymes like topoisomerases. Recent advances on I23 allow confirmation of Mg2+ and identify K+ and Cl- ions in bacterial topo IV complexes, extending our understanding of their function.

Published yesterday in @PNASNews, a new paper from researchers at @imperialcollege, @ucl and @DiamondLightSou. I23 was used to identify Mg sites in the complex by collecting data below the S edge (2400eV - 5.17Å) on laser shaped crystals. doi.org/10.1073/pnas.2…

To confirm riluzole’s presence, SAD data were collected, identifying a riluzole sulphur atom with ∼20% occupancy. No such peak was found in DMSO-only crystals. This suggests that riluzole binds to the fenestrations. #Crystallography #NavMs #Riluzole #StructuralBiology

NavMs in the presence of DMSO, with and without riluzole, produced high-resolution crystals. While most electron density maps were similar, riluzole co-crystals revealed differences in the fenestrations, suggesting partial occupancy of both the detergent Hega-10 and riluzole.

Hot off the press! "Structural basis for the rescue of hyperexcitable cells by the amyotrophic lateral sclerosis drug Riluzole" used I23 data to pinpoint S atoms in a drug molecule. doi.org/10.1038/s41467…

@ActaCrystD @IsmayForsyth Emerging tools like AlphaFill aim to improve ion predictions, highlighting the ongoing importance of experimental validation alongside machine learning models. #AlphaFold2 #StructuralBiology #ProteinResearch #ScienceTech

Our latest paper is out in @ActaCrystD featuring work performed by our masters student @IsmayForsyth on f'' refinement for element identification. journals.iucr.org/d/issues/2024/…

@ActaCrystD @IsmayForsyth However, discrepancies with experimental data exist in some high-confidence predictions. It’s crucial to validate AF2 models with experimental methods, including anomalous scattering, which can identify elements like metal ions.

@ActaCrystD @IsmayForsyth AlphaFold2 has revolutionised protein structure prediction. Structural biology has quickly embraced its use, streamlining tasks like design, interaction prediction, and MR.

In @eLife: Structure and function of the ROR2 cysteine-rich domain in vertebrate noncanonical WNT5A signaling doi.org/10.7554/eLife.…

High-confidence placement of low-occupancy fragments into electron density using the anomalous signal of sulfur and halogen atoms doi.org/10.1107/S20597…

Authors from @TheAsheLab, @BaldockLab including @t_malinauskas and @Gareth_R_Moore report structures of TWSG1 in complex with a BMP ligand and show how TWSG1 inhibits signaling. nature.com/articles/s4146…

Structure and function of Semaphorin-5A glycosaminoglycan interactions disq.us/t/4nnjiqs It was great to contribute to this paper from Yvonne Jones and team!

Together with Wes Armour's group at @UniofOxford we developed a technique for analytical absorption corrections for crystallography. A very nice collaboration between @DiamondLightSou @UniofOxford @RCatHarwell @imperialcollege @RosFrankInst

Oligomerization mediated by the D2 domain of DTX3L is critical for DTX3L‐PARP9 reading function of mono‐ADP‐ribosylated androgen receptor - Vela‐Rodríguez - 2024 - Protein Science - Wiley Online Library onlinelibrary.wiley.com/doi/full/10.10…

Check out our new March issue: cell.com/structure/home Our cover was designed by Kamel El Omari @Diamond_MX @RCatHarwell