Structural analysis 0600-S2-CKR-SP/W-AS

During the course, students will learn the methods for solving the phase problem for small molecular compounds and proteins. The specificity and limitations of the protein crystallography methods will be presented. Students will learn all stages of the diffraction experiment, from the selection of good quality crystals, sample mounting, to collecting the diffraction data for organic, as well as for heavy atom-containing compounds. Students will learn how to solve and refine the structures of the organic compounds. Students will learn how to prepare the structural data for deposition in the structural database CSD, the structure validation, as well as the analysis of the compound geometry and interactions within the small-molecular crystal structures.

Total student workload

1. 15h lecture, 45h laboratory, 15h consultation, total. 75 h contact, 2. 45h individual work, 3. 30h for preparing the assessment and grading. 4. 150h / 25 = 6 ECTS

Learning outcomes - knowledge

W1: Student knows the basis for determination the molecular symmetry, crystal system, as well as the point and space groups. W2: Knows the steps of the diffraction experiment. W3: Knows the methods for solving the phase problem. W4: Knows the use of the software for visualization of the small molecular structures. K_W01, K_W06, K_W12

Learning outcomes - skills

U1: Student can select the good quality monocrystal appropriate for the structural research. U2: Can plan the structure determination experiment for the small molecular compounds. U3: Can solve and refine the structure of organic compounds and transition metal complexes. U4: Can analyze the structure of organic compounds and transition metal complexes. K_U01, K_U08, K_U09

Learning outcomes - social competencies

K1: Knows the limitations of the own knowledge and understands the necessity of further increasing the knowledge and improving own skills K2: Can act towards improving the own chemical knowledge and skills K3: Can collaborate in the team (playing different roles) and creatively solve problems faced during the research activity, in particular in the structure analysis. K_K01, K_K03

Teaching methods

informative (conventional) or participatory (lecture) - classic problem-solving (laboratory)

Prerequisites

Knowledge of mathematics and chemistry at S1 level, knowledge of crystallochemistry.

Course coordinators

Anna Kozakiewicz-Piekarz
Andrzej Wojtczak

Assessment criteria

• The computer laboratory will be graded based on the report from the project. Student has to get 50% possible points.
• Written examination (assessed in %)

Bibliography

1. T. Penkala, Zarys Krystalografii, PWN Warszawa, 1977,
2. Z. Bojarski, M. Gigla, K. Stróż, M. Surowiec, Krystalografia, PWN, 2014,
3. Z. Trzaska-Durski, H. Trzaska-Durska, Podstawy Krystalografii Strukturalnej i Rentgenowskiej, PWN, 1994,
4. International Tables For X-ray Crystallography.
5. J. Drenth, Principles of Protein X-Ray Crystallography, Springer-Verlag, 2010.

Additional information

Additional information (registration calendar, class conductors, localization and schedules of classes), might be available in the USOSweb system:

Description of 0600-S2-CKR-SP/W-AS in USOSweb