helliwelljohn.bsky.social

Experience with the Jungfrau-1M detector at Diamond Light Source A Jungfrau-1M integrating detector was characterized at Diamond Light Source and found to be effective for recording macromolecular crystallography diffraction patterns. Parameters for operation and data collection were explored and characterized. The Diamond facility will be upgraded and integrating detectors, such as Jungfrau, will be used more widely in the future.

John Matheson et al.: Experience with the Jungfrau-1M detector at Diamond Light Source #IntegratingDetectors #MacromolecularCrystallography #SynchrotronScience @DiamondLightSou@psich_en@argonne...#IUCr https://journals.iucr.org/paper?S1600577526000342

Promotional graphic with image of a computer screen showing a YouTube video of the CCDC software.

We have over 220 videos on our YouTube channel, on all aspects of #Crystallography, and all are free!

✔️Symmetry operations and elements
⚛️Hydrogen bond visualisation and analysis
👍Protein–ligand docking
🔭Pharmacophore searching
🔎Surface analysis

www.youtube.com/user/CCDCCam...

#CompChemSky

Round robin on structure analysis from 3D electron diffraction data This blind test uses three known samples to determine the accuracy limits of 3D electron diffraction and to assess various challenges. The study aims to evaluate how well different users with diverse experimental setups can perform tasks such as hydrogen-atom detection, mixed occupancy analysis and absolute structure determination. By comparing results across multiple participants and platforms, we can gauge the reliability of the method and identify potential areas for improvement in 3D electron diffraction techniques.

M​auro Gemmi et al.: Round robin on structure analysis from 3D electron diffraction data @stockholms_univ@stockholms_univ@stockholms_univ@stockholms_univ@stockholms_univ@uni_mainz@unibasel@uni_mainz...#IUCr https://journals.iucr.org/paper?S205225252600045X

Modelling of radiation damage and beam-induced heating of room-temperature samples at extremely high flux MX beamlines Modelling of radiation damage and beam-induced heating at extremely high flux macromolecular crystallography beamlines is presented.

M​artin V. Appleby et al.: Modelling of radiation damage and beam-induced heating of room-temperature samples at extremely high flux MX beamlines #RadiationDamage #MacromolecularCrystallography ... #IUCr https://journals.iucr.org/paper?S2052252525011224

The @ccdc.cam.ac.uk team did a fab job with this. Thoughtful detailed profiles of awesome women scientists like @crystallised-cricket.com.

Much love to all the women scientists out there today! 💚

IUCr2026

Co-chairing IUCr 2026 MS-012 “Next-generation validation metrics for macromolecular structures” with Deborah Harrus (@deborah83.bsky.social)! Focus: new validation concepts/methods/best practices across all methods. Submit abstracts by Feb 15; early-bird reg by Mar 31. www.iucr2026.org

The latest issue of the @IUCr Newsletter is now available at www.iucr.org/news/newslet... with lots of topics of interest in #crystallography.

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...

PDB101: How Structural Biologists and the PDB Drive Innovation PDB-101: Training, Outreach, and Education portal of RCSB PDB

Submit your IUCr2026 abstract to MS001 "How Structural Biologists and the PDB Drive Innovation" by February 15 to share how structural science impacts scientific discovery
Details:

Promotional graphic with a ball and stick representation of a crystal structure from the Cambridge Structural Database.

For over 60 years, we have been the backbone of materials and life sciences research.

We provide:

⚛️Curated Data: A trusted global repository of organic and metal-organic structures.
🔬Advanced Software
🔎Educational Support

How has the CSD impacted your research?🗨️

#CompChemSky

With appreciation from the ACA community — thank you to George N. Phillips, Jr. for his leadership and service as Editor-in-Chief of Structural Dynamics.

#ACA #StructuralDynamics #OpenScience #crystallography #structuralscience

Acta Crystallographica Section B welcomes three new Co-editors The newest three members of the Editorial Board of Acta Crystallographica Section B are introduced.

D​awe, Katrusiak, Nangia and Berry: Acta Crystallographica Section B welcomes three new Co-editors #CoEditors #StructuralScience #CrystalEngineering @Laurier...#IUCr https://journals.iucr.org/paper?S2052520626000685

Hmm beige not good. Liquorice all sorts style still puzzles me even 3 years later.😎

@walshdls.bsky.social @scurry.bsky.social And don’t forget hotel room decor. This one Hamburg December 2022. “Inside a liquorice all sort” style. 😎

Automated microbatch-under-oil phase diagrams to rationalize serial crystallography sample preparation An automated, low-volume microbatch-under-oil crystallization approach is described that rapidly maps phase diagram boundaries. This approach rationalizes the production of microcrystal suspensions for serial crystallography by explicitly distinguishing metastable from nucleation zones, thereby replacing empirical trial and error with a quantitative guide to sample optimization.

Jack Stubbs et al.: Automated microbatch-under-oil phase diagrams to rationalize serial crystallography sample preparation #SerialCrystallography #SamplePreparation #PhaseDiagrams @unisouthampton@uniofexeter...#IUCr https://journals.iucr.org/paper?S2052252526000448

Registration for the 11th ECA crystallography school is now open!

It will be held in Stockholm on the 28th of June to the 4th of July and will give practical experience of solving and refining data from both powder, single crystal and electron diffraction.

www.ecs11.org

forms.gle/ckyFQoNqRd7d...

Increasing X-ray energy improves data quality in serial crystallography Advanced serial crystallography utilizing high-energy X-rays enhances diffraction efficiency, data quality and structural resolution under room-temperature conditions.

Rare work related post.
Increasing X-ray energy improves data quality in serial #crystallography 🧪
journals.iucr.org/s/issues/202...

There's still time to register!

1 week to go.

rigaku.com/products/cry...

Calling all teachers! Crystallographic Teaching is offering 4 sessions to level up your pedagogical skills in crystallography, covering structure visualization & determination, student engagement, and crystallography in industry vs. academic settings. event.fourwaves.com/...

The deadline is approaching for abstract submission to the BCA 2026 Spring Meeting in Leeds, 30th March-1st April! Get your abstract in before 9am on Monday 19th January, we can't wait to hear about your science 🔬

tinyurl.com/BCASpring2026

International Tables for Crystallography, Volume I, X-ray absorption spectroscopy and related techniques. Edited by C. T. Chantler, F. Boscherini and B. Bunker. Wiley, 2024, Hardcover, Pp. XIV+1074, price EUR 395.50. Hardcover: ISBN 978-1-119-43394-1.

James Penner-Hahn: International Tables for Crystallography, Volume I, X-ray absorption spectroscopy and related techniques. Edited by C. T. Chantler, F. Boscherini and B. Bunker. ... #IUCr https://journals.iucr.org/paper?S2053273325011337

Sample purification and characterization of the α- and β-crustacyanin pigments from the American lobster for crystallographic and cryo-EM studies The striking blue colour of the American lobster is caused by proteins that interact with the red pigment astaxanthin, causing its colour change. We have purified and characterized the pigments from the American lobster for crystallographic and cryo-EM studies.

M​aria Claudia Cedri et al.: Sample purification and characterization of the α- and β-crustacyanin pigments from the American lobster for crystallographic and cryo-EM studies #Astaxanthin #Crustacyanin #Absorption ... #IUCr https://journals.iucr.org/paper?S2053230X2600018X

Paper at Journal of Synchrotron Radiation - Evolution of macromolecular crystallography beamlines at the Swiss Light Source and SwissFEL - Our IMISX kit is mentioned - Read the paper -> zurl.co/bafMc Learn about the IMISX kit zurl.co/J8A3K

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...

A holistic approach to urinary calculi: crystal formation, analysis, diagnosis and management Urinary calculi, i.e. popularly known as urinary stones, are found in urinary/renal areas, which are mineral crystalline depositions. It is globally observed human suffering and leads to costly med...

New review online 📖 - Urinary calculi, aka urinary stones, are actually mineral crystalline depositions. In this new review Chaturvedi et al outline how they form and can be managed as a condition.
www.tandfonline.com/doi/full/10....

Happy New Year! For those hoping to join us for the BCA Spring Meeting (30th March-1st April), don't forget to submit an abstract before 09.00 on Monday 19th January. (tinyurl.com/BCASpring2026).

Our January issue is out: journals.iucr.org/d/issues/202...

The cover highlights a data survey of the PDB and CSD for macromolecular and ligand structures that have been determined at elevated temperatures. Read more at doi.org/10.1107/S205...

50th Anniversary of the SSRL synchrotron radiation & protein crystallography initiative Synchrotron-based protein crystallography continues to accelerate, driven by new and upgraded high-brightness sources, improved optics, faster large-area detectors, robust automation and streamline…

Happy 50th Anniversary of the Stanford SSRL synchrotron radiation and protein crystallography initiative

A new macromolecular crystallography endstation at NanoTerasu for accelerating structural biology and drug discovery The construction of a new experimental station for macromolecular crystallography at NanoTerasu under the AMED/BINDS project is presented.

Yusuke Yamada et al.: A new macromolecular crystallography endstation at NanoTerasu for accelerating structural biology and drug discovery #IntegratedStructuralAnalysisPlatform @TohokuUniPR...#IUCr https://journals.iucr.org/paper?S2059798325011234

Shedding light on how photoactive crystals respond in real time Lauren Hatcher discusses her work developing techniques for time-resolved crystallography

Lauren Hatcher uses time-resolved crystallography to understand how photoactive molecules change structure when exposed to light.