Analysis of PDB entries

Purpose of this exercise. The purpose of this exercise is to analyze the statistical distribution of selected geometrical parameters of the protein structures deposited in the Protein Data Bank (PDB), compare the results with the geometrical targets of Engh and Huber [Acta Cryst. A47, 392 (1991)] (EH) used as restraints in the crystallographic refinements, and draw conclusions about the accuracy and precision of protein structures determined by crystallography at different levels of resolution.

Step 1

Selection of PDB entries

Step 2

Getting the geometrical parameters

Step 3

Calculating the statistics

Step 4

Generating a histogram

Step 5

Special case of torsion angles

Mariusz Jaskolski, 02.09.2006