Welcome to the

International Union of Crystallography

The IUCr is an International Scientific Union adhering to the International Science Council. Its objectives are to promote international cooperation in crystallography and to contribute to all aspects of crystallography, to promote international publication of crystallographic research, to facilitate standardization of methods, units, nomenclatures and symbols, and to form a focus for the relations of crystallography to other sciences.

IUCr Newsletter




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Cambridge Structural Database reaches one million structures

On 6 June 2019, the Cambridge Crystallographic Data Centre (CCDC) announced a huge milestone for structural chemistry with the addition of the millionth structure into the Cambridge Structural Database (CSD).

CSDThe millionth structure to enter the CSD, 1-(7,9-diacetyl-11-methyl-6H-azepino[1,2-a]indol-6-yl)propan-2-one (CSD Refcode XOPCAJ), and the IUCr's contributions to the CSD by journal.

The CSD is the world's repository of highly curated experimentally determined organic and metal–organic crystal structures. It is used globally by scientists in more than 70 countries to understand how molecules behave and interact in three dimensions in the solid form and ultimately how this affects physical properties.

The 1,000,000th structure is an N-heterocycle produced by a chalcogen-bonding catalyst activating multiple reaction steps sequentially. In the paper the authors describe a class of chalcogen-bonding catalysts that enable the assembly of discrete small molecules leading to the construction of N-heterocycles in a highly efficient manner. The structure was determined by Yao Wang and co-authors from Shandong University in China and published in the Journal of the American Chemical Society.

The IUCr has made a significant contribution to the growth of the CSD, having contributed nearly 90,000 structures; just under 50% of these were published in Acta Cryst. E.

Posted 11 Jun 2019 

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Nominations invited for membership of IUCr Executive Committee and IUCr Commissions

In Prague in 2020, the 25th General Assembly of the IUCr will elect the new members of the Executive Committee and the Commissions. The Executive Committee wishes its own nominations to be representative of the desires of the community of crystallographers at large. We are therefore inviting the National Committees for Crystallography to submit suggestions for the future membership of the IUCr Executive Committee and the Commissions. It is important to have a fair representation of our diverse community, including young scientists and women, on our Executive Committee and Commissions, and ask that you take this into account when submitting your nominations. These suggestions will then be considered by the Executive Committee when preparing its own nominations at its meeting in 2019.

Executive Committee

The vacancies to be filled are those of President, Vice-President, General Secretary and Treasurer and three ordinary members. None of the present holders of the offices to be filled are eligible for re-election to the same office. We invite you to make suggestions for each vacant office. Please feel free to suggest more than one person for any particular position. Although a National Committee has special knowledge of crystallographers in its own country, and we would be pleased to have suggestions based on this knowledge, it would also be helpful if you suggested candidates from other countries as well. The Executive Committee should be a fair representation of the variety of nationalities from the different continents that make up the membership of the IUCr and of the variety of fields and sub-disciplines in our science. A good gender balance is also important. The nomination form is available here; the submission deadline is 30 June 2019.

Non-publishing Commissions

The Executive Committee welcomes suggestions from National Committees for the Chairs and members of the non-publishing Commissions. The current memberships can be seen here. Your suggestions will be of great help to the Commissions when they compile their own recommendations, which form the basis from which the Executive Committee's nominations to the General Assembly for the Chairs and members of Commissions are compiled. The IUCr needs candidates who are willing to participate actively in the work of the Commissions, and it would be most helpful if you could include some brief information on the specific scientific interests of the persons you suggest. The nomination form is available here; the submission deadline is 30 June 2019.

Posted 04 Jun 2019 

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Michael G. Rossmann (1930-2019)

[rossmann]It is with great sadness that we report the death of one of the giants in the field of structural biology, Michael G. Rossmann. Professor Rossmann (Purdue University, West Lafayette, IN, USA) died on 14 May 2019 at the age of 88.

From mapping the structure of the common cold virus using X-ray crystallography in 1985 to creating the most accurate picture to date of the Zika virus using cryoelectron microscopy in 2018, he and his team have paved the way for vaccine design.

In 1994, Professor Rossmann received the Gregori Aminoff Prize, awarded by the Royal Swedish Academy of Sciences, for his fundamental methodological work on the utilization of non-crystallographic symmetry, with its especially important applications within protein and virus crystallography. Shortly afterwards, in 1996, he was awarded the fourth Ewald Prize for his work on molecular replacement and the use of non-crystallographic symmetry in the determination of macromolecular structure and for his research on the structure of viruses, which is foremost among the triumphs of crystallography. The latter Prize was presented during the Opening Ceremony of the 17th IUCr Congress (Seattle, WA, USA), and it was at this Congress that the IUCr commissioned him and Eddy Arnold to produce a new volume for the International Tables series dedicated to the growing field of macromolecular crystallography. The resultant Volume F, which appeared in 2001, was enthusiastically welcomed by the structural biology community. Professor Rossmann had other close ties to the IUCr. At the 12th General Assembly (Ottawa, Canada) in 1981, he was elected Chair of the new Commission on Biological-Macromolecule Crystallography (now Commission on Biological Macromolecules), and has also served on the Commission on Crystallographic Nomenclature. In addition, he has published widely in IUCr journals.

A full obituary will be published in due course.

Posted 15 May 2019 

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New SasView release

The SasView Collaboration is pleased to announce two new releases of its popular data analysis package.

  • SasView-5.0.0-Beta2 is the latest preview of our next-generation, Python3-based, version of SasView. This Beta2 version builds on feedback received since Beta1 debuted at SAS-2018 in October and has almost all the functionality of versions 4.2.x
  • SasView-4.2.1 is a point release for version 4.2.0 addressing issues with the built-in model editor and the NXcanSAS file reader, in particular, but which also adds a few other improvements.

SasView is a Small Angle Scattering Analysis Software Package, originally developed as part of the NSF DANSE project under the name SansView, now managed by an international collaboration of facilities. Feedback and contributions are welcome and encouraged. Further details and downloads at the project web page https://www.sasview.org.

Posted 20 Feb 2019 

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Bids are invited to host PCCr3 or PCCr4

[PCCr logo]Following the highly successful First Pan African Conference on Crystallography (PCCr1) in Dschang, Cameroon, in 2016 and PCCr2 in Accra, Ghana, in 2019, bids are now invited to host PCCr3 or PCCr4. The proposals should be submitted by the proposed Chair of the Local Organising Committee to Dr Patrice Kenfack Tsobnang, the Secretary of the African Crystallographic Association (AfCA) Steering Committee by 15 March 2019. After examining the bids, the AfCA Steering Committee will vote on the location of PCCr3 and PCCr4. A decision is due by 1 April 2019. Please see guidelines for preparing proposals and guidance for PCCr organisers.

Follow the progress towards the AfCA on Facebook!

Posted 15 Feb 2019 

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IUCr Gender Equity and Diversity Committee

The IUCr is proud to announce the formation of a Gender Equity and Diversity Committee (GEDC). The GEDC aims to address issues and establish new practices and policies to overcome inequity in the IUCr's processes. The Committee's terms of reference can be found here.

The current members of the GEDC are as follows:

[GEDC]
  • Jenny Martin (IUCr Executive Committee member, Australia)
  • Sven Lidin (IUCr President, Sweden)
  • Annalisa Guerri (member of the IUCr Calendar Committee that awards funding for crystallography conferences, Italy)
  • Michele Zema (IUCr Executive Outreach Officer)
  • Helen Maynard-Casely (ANSTO instrument scientist, Australia)
  • Claire Murray (Beamline Support Scientist, Diamond Synchrotron, UK)
  • Christine Beavers (Principal Beamline Scientist, Diamond Synchrotron, UK)

(Helen, Claire and Christine are three of the four authors of the IUCr blog "Women in Crystallography – we’re not just historical").

The Chair is asking for volunteers to complete the Committee. Jenny's message is:

The GEDC can have up to 10 members, and we currently have seven. So the next step is to find up to three more members of our community who are committed to addressing gender equity and diversity. To do that we need to address our own committee imbalance in geography and gender.

If you are interested in volunteering to join the GEDC, or would like to nominate someone that you think would do a good job, please contact Jenny or IUCr Executive Secretary Alex Ashcroft.

Posted 08 Feb 2019