@helliwelljohn.bsky.social
📤 175
📥 204
📝 46
My talk on my new book in the IUCr OUP Book series on Wednesday 9am 29th May 2026 Liverpool University, recording and slides, are here:-
kurlin.org/macsmin/2026...
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Prof Vitaliy Kurlin: research and teaching in mathematics and computer science
Prof Vitaliy Kurlin: news, research, papers, teaching
https://kurlin.org/macsmin/2026.php#Wednesday
4 days ago
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reposted by
David Aragão 🔶
5 days ago
⏰ 2 weeks left to apply for the 2026 CCP4-BCA Protein Crystallography Summer School (6–11 Sep, Norwich, UK). Invaluable lectures, hands-on tutorials and networking is waiting for you ☺️ 📅 Applications close 19 June
www.jic.ac.uk/event/ccp4-b...
#Crystallography
#CCP4
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https://www.jic.ac.uk/event/ccp4-bca-protein-crystallography-summer-school-2026/�
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reposted by
The University of Manchester
12 days ago
President and Vice-Chancellor Professor Duncan Ivison has announced that UoM will begin to offer work experience, for all undergraduates. "Every single student [should] have a chance to put their learning into context – it doesn’t matter if you’re a history student or a chemical engineer.” 💡
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reposted by
Structural Biology
13 days ago
The Global Phasing workflow derives and executes experimental strategies for macromolecular crystallography
#MacromolecularXRayCrystallography
#ExperimentalStrategy
#Automation
doi.org/10.1107/S205...
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reposted by
IUCr2026
18 days ago
The IUCr2026 Speaker & Award Schedule is out! Check out who's taking the stage in Calgary this August! Register now & plan your sessions, workshops, & tours before they fill up! 👉 Schedule:
event.fourwaves.com/...
👉 Register:
event.fourwaves.com/...
#IUCr2026
#Crystallography
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Thank you to my coauthor Stefania Hanau and to
@actacrystf.iucr.org
6590 downloads is very satisfying. Thank you to all those readers.
24 days ago
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@actacrysta Coming soon:-
24 days ago
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reposted by
Jon Agirre
28 days ago
It was lovely to chat with Anu and
@charliebondxray.bsky.social
about PPR proteins, their RNA binding modes and awesome modularity. Please watch, give the IUCr a thumbs up, and add some comments when you have a minute! What would you like to see in these interviews?
add a skeleton here at some point
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www.tandfonline.com/toc/gcry20/c...
New issue now available:-
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Crystallography Reviews
Volume 31, Issue 3-4 of Crystallography Reviews
https://www.tandfonline.com/toc/gcry20/current
about 1 month ago
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reposted by
Helen MC
about 1 month ago
Calling all crafty crystallographers! Are you going to
#IUCr2026
? Would you like to have a craft meet up in Calgary? Laura Folkers (at
@stoenews.bsky.social
) and I are looking to organise a gathering, all crafts welcome! Please fill in the EOI form so we can include you
forms.gle/wpTpe4WVsdtY...
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reposted by
RCSB Protein Data Bank
about 2 months ago
Celebrate
#DNADay
on April 25 Commemorate the anniversaries of the Human Genome Project's completion and the discovery of the DNA double helix with PDB-101 resources
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PDB-101: Celebrate DNA Day on April 25
PDB-101: Training, Outreach, and Education portal of RCSB PDB
https://pdb101.rcsb.org/news/69bae9578557ae0f261bc71a
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reposted by
Mike Glazer
about 2 months ago
The latest issue of the @IUCr Newsletter is now available at
www.iucr.org/news/newslet...
.
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reposted by
Mike Glazer
2 months ago
The Royal Society film on Kathleen Lonsdale featuring footage from the @IUCr archive, was recently nominated for a Webby Award by the Academy of Digital Arts and Sciences. Voting is open until Thursday 16th April. see
tinyurl.com/msddeem8
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Here are my BCA2026 Industrial Group Plenary Lecture slides :-
zenodo.org/records/1939...
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Open Science and Industry
Abstract Adding Open Science to the Modern Discovery and Applications Toolbox in Crystallography: Open Science and IndustryJohn R. Helliwell, Department of Chemistry, University of Manchester, UK UNES...
https://zenodo.org/records/19398331
2 months ago
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reposted by
CCDC Cambridge
2 months ago
A thought‑provoking industrial plenary at the
#BCA2026
today from John Helliwell of
@manchester.ac.uk
. Our standout moment was when he said, “We lead the world in FAIR data through the CCDC.” 🙌 Learn more 👉
www.ccdc.cam.ac.uk/solutions/ab...
#Crystallography
#Pharma
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reposted by
IUCrJ
3 months ago
Aurelien Personnaz et al.: AXIS: a Lab-in-the-Loop machine learning approach for automated detection of macromolecular crystals
##StructuralBiology
##AI
##LabInTheLoop
...
##IUCr
https://journals.iucr.org/paper?S2052252526001399
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AXIS: a Lab-in-the-Loop machine learning approach for automated detection of macromolecular crystals
AXIS (AI-based Crystal Identification System) combines artificial intelligence with an iterative Lab-in-the-Loop approach for automated crystal detection. AXIS ensures high performance in crystal detection, requires small training datasets and facilitates rapid adaptation to local and changing conditions at any given facility.
https://journals.iucr.org/paper?S2052252526001399
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reposted by
Science Magazine
3 months ago
The Human Organ Atlas, a new resource for researchers, clinicians, and educators, is an open-access database of 3D imaging of intact human organs. The portal includes donor samples with conditions from congenital disorders to COVID-19. Learn more in
#ScienceAdvances
:
https://scim.ag/4btmhQI
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The Human Organ Atlas
The Human Organ Atlas provides open access to 3D images of human anatomy spanning whole organs to cellular scale resolution.
https://scim.ag/4btmhQI
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reposted by
Structural Biology
3 months ago
A new macromolecular crystallography endstation, MX-ES, has been established at NanoTerasu, Japan's first fourth-generation synchrotron-radiation facility
#NanoTerasu
#MacromolecularCrystallography
#IntegratedStructuralAnalysisPlatform
doi.org/10.1107/S205...
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@iucr2026.bsky.social
IUCr2026 Congress in August in Calgary we have a Workshop on Open Science with advanced details of speakers and most abstracts here
indico.esrf.fr/event/251/
3 months ago
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reposted by
ESRF
3 months ago
An international team of scientists & clinicians announced, in Science Advances, the launch of a new open-access 3D portal that allows users to explore intact human organs in unprecedented detail — from the whole organ down to individual cells
@uclengineering.bsky.social
www.esrf.fr/home/news/ge...
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reposted by
IUCr2026
3 months ago
Planning to attend #IUCr2026? Choose from 21 pre-congress workshops for hands-on training led by internationally recognized experts Register by March 31 for discounted prices
event.fourwaves.com/...
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reposted by
Crystallography Reviews
3 months ago
New Editorial online - Tracing the path of crystals: study of urinary calculi and half a century of synchrotron radiation in protein structure determination
www.tandfonline.com/doi/full/10....
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Tracing the path of crystals: study of urinary calculi and half a century of synchrotron radiation in protein structure determination
Published in Crystallography Reviews (Ahead of Print, 2026)
https://www.tandfonline.com/doi/full/10.1080/0889311X.2026.2613182
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www.tandfonline.com/doi/full/10....
add a skeleton here at some point
3 months ago
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Full article: Perspectives on the 50th anniversary of synchrotron radiation protein crystallography
@jsynchrotronrad.iucr.org
3 months ago
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reposted by
Structural Biology
3 months ago
An optimized data-acquisition and processing strategy for the collection of high-quality electron diffraction data from extended crystals using conventional cryo-EM instrumentation
#ElectronDiffraction
#RadiationDamage
#DataCompleteness
doi.org/10.1107/S205...
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reposted by
Structural Biology
3 months ago
This topical review considers a Protein Data Bank and Cambridge Structural Database data survey of crystal structures that have been determined at elevated temperatures
#BodyTemperature
#PhysiologicalConditions
#37C
doi.org/10.1107/S205...
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reposted by
J Synchrotron Rad
4 months ago
Simon Wittl et al.: Comparing image quality of synchrotron and laboratory nano-CT scans: a round robin study
##NanoCT
##SynchrotronRadiation
##ModulationTransferFunction
@esrfsynchrotron@UGrenobleAlpes...
##IUCr
https://journals.iucr.org/paper?S160057752600086X
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Comparing image quality of synchrotron and laboratory nano-CT scans: a round robin study
A multi-facility round-robin comparison of synchrotron- and laboratory-based nano-computed tomography using a standardized 3D phantom reveals superior resolution and acquisition speed at synchrotrons, while advanced laboratory systems achieve competitive image quality with extended scan times; phase contrast modalities further enhance structural visibility.
https://journals.iucr.org/paper?S160057752600086X
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reposted by
J Synchrotron Rad
4 months ago
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
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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.
https://journals.iucr.org/paper?S1600577526000342
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reposted by
CCDC Cambridge
4 months ago
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
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reposted by
IUCrJ
4 months ago
Mauro 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
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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.
https://journals.iucr.org/paper?S205225252600045X
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reposted by
IUCrJ
4 months ago
Martin 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
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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.
https://journals.iucr.org/paper?S2052252525011224
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reposted by
Claire Murray
4 months ago
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! 💚
add a skeleton here at some point
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reposted by
Dominika Borek
4 months ago
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
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IUCr2026
https://www.iucr2026.org/
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reposted by
Mike Glazer
4 months ago
The latest issue of the @IUCr Newsletter is now available at
www.iucr.org/news/newslet...
with lots of topics of interest in
#crystallography
.
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(IUCr) number 1
https://www.iucr.org/news/newsletter/volume-34/number-1
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reposted by
Mike Hough
4 months ago
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...
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Can ferric-oxyl excited states explain elongated iron-oxygen bonds in heme peroxidase catalytic intermediates? - Nature Communications
Peroxidases have long been considered to use ferryl heme intermediates (Fe(IV) = O) to catalyze oxidative chemistries. Here, Williams et al. find that ferric-oxyl (FeIII–O•–) excited states exist alon...
https://www.nature.com/articles/s41467-026-69192-8
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reposted by
RCSB Protein Data Bank
4 months ago
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:
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PDB101: How Structural Biologists and the PDB Drive Innovation
PDB-101: Training, Outreach, and Education portal of RCSB PDB
https://pdb101.rcsb.org/news/697e0cb91c215c75ee8f548e
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reposted by
CCDC Cambridge
4 months ago
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
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reposted by
ACA: The Structural Science Society
4 months ago
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
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reposted by
Acta Cryst B
4 months ago
Dawe, Katrusiak, Nangia and Berry: Acta Crystallographica Section B welcomes three new Co-editors
##CoEditors
##StructuralScience
##CrystalEngineering
@Laurier...
##IUCr
https://journals.iucr.org/paper?S2052520626000685
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Acta Crystallographica Section B welcomes three new Co-editors
The newest three members of the Editorial Board of Acta Crystallographica Section B are introduced.
https://journals.iucr.org/paper?S2052520626000685
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@walshdls.bsky.social
@scurry.bsky.social
And don’t forget hotel room decor. This one Hamburg December 2022. “Inside a liquorice all sort” style. 😎
4 months ago
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reposted by
IUCrJ
4 months ago
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
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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.
https://journals.iucr.org/paper?S2052252526000448
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reposted by
Hanna Boström
4 months ago
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...
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reposted by
Danny Axford
5 months ago
Rare work related post. Increasing X-ray energy improves data quality in serial
#crystallography
🧪
journals.iucr.org/s/issues/202...
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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.
https://journals.iucr.org/s/issues/2026/02/00/rv5200/index.html
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reposted by
Rigaku Oxford Diffraction
5 months ago
There's still time to register! 1 week to go.
rigaku.com/products/cry...
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Rigaku School for Practical Crystallography 2026
We will be holding a Rigaku School for Practical Crystallography on basic topics in crystallography from January 26 to Feb 6 2026
https://rigaku.com/products/crystallography/x-ray-diffraction/crystallography-school-2026
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reposted by
IUCr2026
5 months ago
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/...
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reposted by
British Crystallographic Association
5 months ago
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
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BCA 2026
https://tinyurl.com/BCASpring2026
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reposted by
Acta Cryst A
5 months ago
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
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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.
https://journals.iucr.org/paper?S2053273325011337
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reposted by
Structural Biology Communications
5 months ago
Maria 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
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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.
https://journals.iucr.org/paper?S2053230X2600018X
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reposted by
MiTeGen
5 months ago
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
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reposted by
Mike Hough
5 months ago
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...
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Beamline Scientist - VMXi (11779)
https://vacancies.diamond.ac.uk/vacancy/beamline-scientist-vmxi-602218.html
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