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National Repository of Grey Literature 1 records found  Search took 0.00 seconds. 
Validation of macromolecular crystal structures
 Řezáčová, Pavlína
X-ray crystallography is the main technique of macromolecular structure determination. Typical problems of protein crystallography diffraction data measured at limited resolution and inaccurate phase informacion adversely affect the quality of electron density maps and consequently the quality of the final model. Currently, there are many methods of protein quality validation. These can be subdivided into two main groups The first group assesses the model quality by evaluating the agreement of the model with the diffraction data. The second group of structure validation methods is based on comparison of the macromolecular model geometrical parameters with standards values derived from the crystal structures of small molecules or high-resolution macromolecular structures. This work is focused on introduction to widely used macromolecular structure-validation software. The main global quality criteria and reliable indicators for detecting local errors are summarized.
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