Understanding heme enzyme mechanism using dynamic, time resolved crystallography and QM/MM simulations at The University of Manchester on FindAPhD.com PhD Project - Understanding heme enzyme mechanism using dynamic, time resolved crystallography and QM/MM simulations at The University of Manchester, listed on FindAPhD.com

An exciting PhD studentship available between the U. of Manchester (Sam Lay) and Diamond Light Source -an opportunity to work with experimental time-resolved structural biology and state-of-the-art computational simulations to gain a deep understandingf enzymes.
www.findaphd.com/phds/project...

New paper describing our time resolved SFX studies with spectroscopic validation through XES to propose new intermediates in heme peroxidases. A large team of researchers led by Essex and Diamond @jarworrall.bsky.social @diamondlightsource.bsky.social
www.nature.com/articles/s41...

We have a fixed term beamline scientist post available at VMXi, Diamond. The successful applicant will join the team at a dedicated room temperature MX beamline and help with user experiments in fragment screening and time resolved serial crystallography.
vacancies.diamond.ac.uk/vacancy/beam...

Hundred-Picolitre Droplet on Demand Tape Drive and XES Prototypes for Time-Resolved Serial Crystallography at VMXi, Diamond Light Source Time resolved X-ray crystallography is experiencing a resurgence in part because of serial methods that readily allow scientists to create stop-motion movies of macromolecular function of photoactivat...

Our new preprint showing preliminary results from our droplet on demand tape drive and XES spectrometer system at Diamond VMXi - applied to protein microcrystals including a copper enzyme
eur03.safelinks.protection.outlook.com?url=https%3A...

Recent paper showing the power of combining advanced structural biology with QM/MM simulations to understand a heme enzyme. Work between Diamond, STFC, Bristol and Essex. We present evidence for the presence of an unusual protein to heme cross-link.
pubs.rsc.org/en/content/a...

Time-resolved serial synchrotron and serial femtosecond crystallography of heme proteins using photocaged nitric oxide We demonstrate the application of a nitric oxide releasing photocage system for time-resolved serial crystallography studies of two heme containing proteins using a fixed target sample delivery system...

New paper describing use of photocaged nitric oxide for time resolved crystallography within fixed targets at XFEL and synchrotron - PhD work of Pete Smyth & Lewis Williams - great collaboration with @jarworrall.bsky.social, beamline I24 and SACLA. Funded by BBSRC
journals.iucr.org/m/issues/202...

Enhanced intensity-based clustering of isomorphous multi-crystal data sets in the presence of subtle variations Bovine, porcine and human insulin data sets are isomorphous in terms of unit cell and symmetry. Through enhancements to the multi-crystal clustering methods in DIALS, species-pure data sets are automa...

Paper describing clustering methods to separate subtle structural differences in populations of protein crystals - with application to polymorphs, ligand binding.. - led by Amy Thompson @amyjayyyne.bsky.social with VMXi,I24 and Data Analysis at @ddiamond.bsky.social journals.iucr.org/d/issues/202...

I'm awaiting the 24 hr rolling news coverage of the Conclave - where there is zero to actually report until smoke comes out of the chimney!

As part of this work we explicitly measured the XFEL temporal pulse profiles with a Wakefield device rather than inferring pulse length from electron bunch parameters

Damage before destruction? X-ray-induced changes in single-pulse serial femtosecond crystallography Varied pulse-duration and pulse-intensity serial femtosecond crystallography data do not show significant signs of radiation damage under typical experimental conditions.

Our new paper exploring the effect of XFEL pulse length and pulse intensity on electron density maps of two radiation sensitive proteins. A great collaboration between Diamond, SwissFEL and University of Essex's Worrall group.
journals.iucr.org/m/issues/202...

Cytochromes P460 and c′-β: exploiting a novel fold for multiple functions - JBIC Journal of Biological Inorganic Chemistry Two related classes of ligand-binding heme c-containing proteins with a high degree of structural homology have been identified and characterized over recent decades: cytochromes P460 (cyts P460), def...

Nice to see our review on the fascinating cytochromes P460 and cytochromes c' - that use a similar and unusual structure to carry out very different functions out in JBIC. An idea for a mini review that expanded! link.springer.com/article/10.1...

Just getting started on blue sky - Using this mostly for work purposes, as a brief intro for people I don't already know - I'm a structural biologist at Diamond Light Source specialising in room temperature X-ray structures and serial crystallography at synchrotrons and XFELs