RapiData 2024 at SSRL is a practical course in macromolecular X-ray diffraction data collection, data processing and structure solution. The aim of the RapiData course is to educate and train young scientists in data collection and processing methods at synchrotron beamlines, using state-of-the-art software and instrumentation.

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Topics:

• Specimen preparation, tactics in data collection
• X-ray light sources
• X-ray detectors
• Data reduction
• Structure solving by MAD, SAD and Molecular replacement
• Complementary methods (spectroscopy and small angle scattering)

Workshop 1: Cryo-EM Sample Preparation, Screening, Data Collection and Analysis (In-person)

 This workshop will focus on single-particle analysis of macromolecules, covering various aspects such as sample preparation (including both negative staining and cryo-sample preparation), sample screening using screening electron microscopes (EMs), data collection employing high-end EMs (e.g., Krios), and data analysis using LBMS GPU computers with modern software (e.g., CryoSPARC). To optimize interactions and hands-on experience, this workshop will be limited to 16 participants, selected based on their application materials.

All applicants must submit their application online by February 4, 2024.

Organised by DGK Workgroup Physical Crystallography

Participants will learn how to fit parametric data of volumes and unit-cell parameters as a function of pressure and temperature with Equations of State (EoS), and will learn how to critically evaluate the results in the light of experimental uncertainties and the theoretical basis of EoS.

 Program

Thursday 21st March, afternoon

• Brief review of EoS and EoS parameters.
  
• Hands-on fitting PV datasets with EosFit-GUI.
  
• Identification of data problems.
  
• Evaluation of results (esd’s, f-F plots, VCV plots, etc).
  

• Fitting cell parameter variations with pressure.
  
• Theory of thermal expansion and PVT EoS.
  
• Fitting PVT datasets in EosFit-GUI.

The ACA Summer Course in Chemical Crystallography is a program that is now into its third decade of instruction here in the United States. The current incarnation of the course is directed towards Single-Crystal Chemical Crystallography and Powder Diffraction techniques, as applicable to small molecule studies. The course is designed to instruct attendees in the theory and practice of these two aspects of crystallography.

The course is held every summer, in even years now at Purdue University, and in odd years at Northwestern University. For updates on the course, click here.

No prior knowledge of crystallography is expected from attendees. However, a good understanding of undergraduate level chemistry, physics and mathematics is desirable. While the course is geared towards graduate level attendees, applications from strong undergraduate students will be considered. Â Past course attendees have included faculty members and industrial researchers.

The EPDIC Conference is the biennial meeting dedicated to all aspects of the analysis of polycrystalline materials by diffraction methods. It brings together experts from universities, research institutes and instrumentation companies to share their knowledge and discuss the current trends and challenges in powder diffraction.
In agreement with the traditional character of this Conference, EPDIC18 will yield an exciting scientific program that will cover a broad range of hot traditional and new topics interesting to the powder community.

The Conference will be held in Padova, at the Padova Congress Centre on behalf of AIC. It will be organized in synergy with ECM34, which will precede EPDIC18 in the same location.

Taking place in person again, this year's workshop will be bringing together leading experts in the field of MX to teach best practice in data collection and analysis. Open to PhD students, postdocs and young researchers bringing their own crystals or data.

Comprehending and analysing various disorder configurations is crucial in structural analysis and informatics. This knowledge empowers researchers to make informed decisions, undertake risk assessments, and unlock new insights into the underlying structures.

 Join this webinar where we will cover topics including:

- How to improve the representation of disordered structures in Mercury and the CSD Python API

1. Analysis of disorder in the CSD and CIF files.

2. Use Mercury tools with disordered structures.

- How to use the new tools for analysis of void space

1. Use the Pore Analyser tool in Mercury to investigate void space.

2. High-throughput analysis of void space using the CSD Python API.

Who should attend:

- Crystallographers

- Students and chemistry educators wanting to learn more about disorder

- Cheminformatics/Data scientists

- Solid form scientists

- Scientists researching MOFs and porous materials

The flagship of the European Crystallographic Association (ECA) activities is the European Crystallographic Meeting (ECM), held every year, except when there is an IUCr Congress. The ECMs are the main meeting point for crystallographers in the ECA area to show their recent research. Microsymposia at ECMs are proposed and organized by ECA SIGs.

ECM 34 will be organized at the Padova Congress Centre on behalf of ECA and AIC. It will include all topics of interest to crystallography and it will be organized in synergy with EPIDC 18, which will follow ECM 34 in the same location.

A Companion Workshop to the 26th Congress and General Assembly of the International Union of Crystallography

Room 206, Melbourne Convention & Exhibition Centre, Melbourne, Australia
August 21, 2023

The workshop will provide an introduction to writing and working with CIF dictionaries. Topics covered will include an introduction to CIF dictionaries, writing individual definitions for existing dictionaries, writing new dictionaries for topic areas, creating dREL methods, and writing software that uses CIF dictionaries.

The CIF dictionaries underpin the crystallographic data management framework that has been so successful over the last 30 years. This workshop aims to grow the pool of competent CIF dictionary authors, which is more important than ever as the previous generation of CIF authors moves toward retirement.

The Young Crystallographers are a working group within the German Society for Crystallography (DGK). For 10 years, we meet regularly in autumn at different universities or the STOE facilities.

These meetings specifically aim to provide a platform for networking and scientific exchange for young scientists with an interest in crystallography, as well as to establish contacts with industry and research institutions.
We want to give young scientists the opportunity to gain early experience in scientific presentation in a relaxed atmosphere and without the stress of a larger conference.

For our grand anniversary, we are happy to meet at the DESY facilities! We are working hard to allow you deep insights as well as a great overview of the possibilities at this large-scale facility.

During the 3-day meeting, you willÂ

• present your own work as a poster (A0 portrait) and lightning talk (~5 min.)
• have the DESY campus tour
• participate in an experiment and get a hands-on experience at a beamline of your choice at PETRA III (see The Experiments)
• hear academic talks from senior scientists
• hear industry talks from our sponsors/partners

At the end of the meeting, you will also have the chance to join a tour of the European XFEL Campus. If you intend to participate, please indicate so during registration. Note that you will need to get to the XFEL facilities by public transport as it is a bit outside the main DESY campus.

The registration fee of 60 € includes the tours and experiments at DESY, coffee breaks as well as lunch and BBQ on Thursday.

Deadline for registration is 22.08.23.

This course will introduce high-resolution Cryo-EM to the structural biology research community. Tt will include image formation and three-dimensional reconstruction theories and available software, tutorials, and demonstrations for data collection and analysis.
The course is free of charge, but you will need to register: here

Participants will be able to analyze their own data and tutorial
datasets using dedicated Amazon Web Services instances.

We will cover the following software packages:
-RELION (led by Liz Kellogg, Cornell Univ.)
-cryoDRGN (led by Ellen Zhong, Princeton Univ.)
-cryoSPARC (led by Structura Inc.)
-Model building in Coot/Phenix (led by Alan Brown, Harvard Medical School)

Lecture 21: Saulius Gražulius: "Open databases: what do we have, where are we going?"

Lecture 22: Julian Henn: "Global data quality metrics and data quality filter systems"

RapiData 2023 at SSRL is a practical course in macromolecular X-ray diffraction data collection, data processing and structure solution. The aim of the RapiData course is to educate and train young scientists in data collection and processing methods at synchrotron beamlines, using state-of-the-art software and instrumentation.

The course will comprise hands-on experiments at the SSRL beamlines, software tutorials, and lectures on the following topics:

• Specimen preparation, tactics in data collection
• X-ray light sources
• X-ray detectors
• Data reduction
• Structure solving by MAD, SAD and Molecular replacement
• Complementary methods (spectroscopy and small angle scattering)

A major effort of the IUCr Diffraction Data Deposition Working Group (2011 to 2017) and now the IUCr Committee on Data since 2017 has been exploring the practicalities, the costs and benefits, and the opportunities for new crystallographic science arising from large-capacity data archives that have become available.  We think it timely to hold a full-day workshop aimed at: (1) discussing current practices in raw data archival and sharing, (2) educating those who generate and deal in crystallographic data on best practices in data reuse in various categories of crystallographic science by leading experts, (3) offering a summing up, including the role of IUCrData’s new Raw Data Letters. We expect attendees to learn about the opportunities for raw data reuse, including the use of raw data as test data sets for machine learning, and to achieve an understanding of how to effectively archive their own raw data to maximise the potential for data sharing and reuse in the future. This workshop will explore in detail the successes and challenges in practice of raw data sharing and reuse. Being a full day, it will complement the proposed microsymposium on "Raw diffraction data reuse: warts and all" in the Congress itself; most importantly the microsymposium will allow for the usual submission of up to four abstracts from anywhere in the world whereas the workshop is principally made up of invited speakers. Furthermore, the microsymposium will highlight the importance of databases. Of the workshop and the microsymposium the proposed keynote on the "European Photon and Neutron Open Science Cloud" (by Andy Götz of ESRF) is the major highlight, making it the world leading effort of this consortium of more than ten European synchrotron and X-ray laser radiation sources with raw data management and sharing.

Reminder: The CommDat user forum is at https://forums.iucr.org

The CCP4/BGU workshop is directed to 25 graduate students, postdocs and/or researchers with some previous expertise in crystallography who need a deeper insight into most advanced structural biology techniques to carry out their research projects.

The workshop program covers all aspects of structure determination, such as data collection, phasing, model building, refinement, validation and structural analysis.Â

• Lectures and tutorials will be delivered by experts in the field
• Participants will be able to work alongside world-leading scientists and methods developers on their own projects
• Participants will have the opportunity to send their own samples to Diamond Light Source for Remote Data Collection

The MLZ is delighted to host the Eighth European Conference on Neutron Scattering after successful events atÂ

• Interlaken 1996
• Budapest 1999
• Montpellier 2003
• Lund 2007
• Prag 2011Â
• Zaragoza 2015
• St. Petersburg 2019

The conference is organized on behalf of the European Neutron Scattering Association (ENSA) and is one of the most important scientific events in the field of neutron research.Â

The conference will take place at the TUM Department of Mechanical Engineering and the new Science Congress Center Munich - both located in the immediate vicinity of the MLZ at Garching.Â

After a warm Welcome on March 19th, we are looking forward to four days of thrilling talks, pleasant posters, and decent discussions of the European neutron scattering community between March 20th and 23rd!Â

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