C8800 X-ray Structure Analysis

Faculty of Science
Spring 2020
Extent and Intensity
2/0/0. 2 credit(s) (fasci plus compl plus > 4). Recommended Type of Completion: zk (examination). Other types of completion: k (colloquium).
Teacher(s)
doc. RNDr. Jaromír Marek, Ph.D. (lecturer)
Guaranteed by
doc. RNDr. Jaromír Marek, Ph.D.
Department of Chemistry – Chemistry Section – Faculty of Science
Supplier department: Department of Chemistry – Chemistry Section – Faculty of Science
Timetable
Tue 11:00–12:50 C02/211
Course Enrolment Limitations
The course is also offered to the students of the fields other than those the course is directly associated with.
fields of study / plans the course is directly associated with
Course objectives
The aim of the course is to explain to students the main principles of single crystal structural analysis, the theoretical background of diffraction on single crystal, the technical equipment used during diffraction experiments and the basic steps and methods used during processing of experimental data and solving of crystal structures of so called "small molecules".
Learning outcomes
Knowledge of: - basic principles of single crystal X-ray crystallography; - history of X-ray crystallography; - instrumentation of X-ray crystallography; - methodologies of X-ray crystallography; - basic "user" knowledge of programs ShelxS and ShelxL and graphic/WEB interfaces of crystallographic databases;
Syllabus
  • Symmetry of matter
  • Interaction of X-ray with matter
  • Diffraction by crystal
  • Sources and detectors of X-ray
  • Diffractometer
  • Phase problem
  • Patterson and direct methods
  • Refinement, R-factors, Least-square-method
  • Programs SHELXS and SHELXL.
  • Crystallisation of protein crystals
  • Methods of heavy derivatives of proteins
  • Refinement of protein structures
  • Crystallographic databases.
Literature
  • MAREK, Jaromír and Z. TRÁVNÍČEK. Monokrystalová rentgenová strukturní analýza (Single crystal X-ray structure analysis). první. Olomouc: Vydavatelství Univerzity Palackého, 2002, 169 pp. nedělí se na edice. ISBN 80-244-0551-2. info
  • GIACOVAZZO, C. Fundamentals of Crystallography. 1992. ISBN 0-19-855578-4. info
Teaching methods
Lectures. Home exercises at PC.
Assessment methods
Home exercises at PC. Oral exam or colloquium.
Language of instruction
Czech
Further Comments
Study Materials
The course is taught annually.
The course is also listed under the following terms Spring 2008 - for the purpose of the accreditation, Spring 2011 - only for the accreditation, Spring 2000, Spring 2001, Spring 2002, Spring 2003, Spring 2004, Spring 2005, Spring 2006, Spring 2007, Spring 2008, Spring 2009, Spring 2010, Spring 2011, Spring 2012, spring 2012 - acreditation, Spring 2013, Spring 2014, Spring 2015, Spring 2016, Spring 2017, spring 2018, Spring 2019, Spring 2021, Spring 2022, Spring 2023, Spring 2024, Spring 2025.
  • Enrolment Statistics (Spring 2020, recent)
  • Permalink: https://is.muni.cz/course/sci/spring2020/C8800