LACA-ABCr School

The LACA-ABCr School is an essential component of the LACA-ABCr 2025 Meeting, designed to provide young researchers and students with high-quality training in key crystallographic methods.

The LACA-ABCr School is free of charge for all participants registered for the LACA-ABCr 2025 Meeting. However, please note that the number of available places is limited.

This edition will feature two specialized courses, tailored to meet the needs of different scientific communities within crystallography.

Fragment Screening by X-ray Crystallography Course

This course is aimed at the structural biology community, focusing on the principles and applications of fragment-based drug discovery (FBDD). Participants will learn how to use crystallographic techniques to screen small molecular fragments, analyze protein-ligand interactions, and optimize drug candidates. The course will cover both theoretical foundations and hands-on practical examples, helping researchers integrate fragment screening into their structural biology studies.

Small Molecule Structure Determination Course

Designed for researchers in chemical crystallography and materials science, this course will provide comprehensive training in solving and refining crystal structures of small molecules. Topics will include data collection, structure determination, refinement strategies, and interpretation of results. Attendees will gain valuable experience in using crystallographic software and applying best practices to their research.

Both courses will be taught by leading international and regional experts, ensuring a balance between theory and practice. The LACA-ABCr School aims to equip young researchers with essential skills to advance their careers, fostering scientific exchange and professional development in Latin America’s growing crystallographic community.

Small Molecule Structure Determination

08:00 hs

Registration

09:00 hs

Introduction

Crystal Growing and Crystallization. Single Crystal X-ray Diffraction step by step.

Florencia Di Salvo

10:30 hs

Coffe-Break

11:00 hs

Topic 1-1

Introduction to Point and Space Group Symmetry in Crystals. Space Groups and use of the International Tables for Crystallography.

Natalia Álvarez

12:20 hs

Lunch

14:00 hs

Topic 3-1

X-ray diffraction, Bragg’s Law and Miller indices. X-ray diffraction in reciprocal Space, Ewald Sphere.

Javier Ellena

15:00 hs

Topic 3-2

Structure Factors and Space Group Determination.

Javier Ellena

16:00 hs

Coffe-Break

16:30

Topic 4-1

The phase problem. Intensity equation. Patterson Method. Modern Direct Methods.

Vojtech Jancik

08:00 hs

Registration

09:00 hs

Topic 5-1

Data collection strategies using Apex6.

Ashley Schmidt

09:45 hs

Topic 5-2

Indexing, data collection strategy determination, Data Integration and Scalling.

Ashley Schmidt

10:30 hs

Coffe-Break

11:00 hs

Topic 5-3

In-situ Data Collection on Diffractometer.

Michael Ruf /Ashley Schmidt

12:20 hs

Lunch

14:00 hs

Topic 4-2

Lecture/Practise on Structure determination with SHELX. Structural refinement R and GooF parameters.

Vojtech Jancik

15:00 hs

Topic 4-3

Introduction to structure determination with Olex2.

Javier Ellena

16:00 hs

Coffe-Break

16:30 hs

Topic 6-1

Final reports. Check Cif validation. Publication standards for IUCr Journals.

Natalia Álvarez

Fragment Screening by X-ray Crystallography

08:00 hs

Registration

09:00 hs

Opening/Introduction

Cristina Nonato

09:10 hs

What are fragments?

Aline Dias da Purificação

09:40 hs

Overview of FBDD and its role in drug discovery. Comparison with other drug discovery methods.

Cristina Nonato

10:30 hs

Coffe-Break

11:00 hs

Preparation for Fragment Screening: Protein target selection and preparation. Libraries for Fragment Screening. Co-crystallization and fragment soaking techniques..

Tatjana Barthel