Computation of Bhat's OMIT maps with different coefficients

The OMIT electron-density-map calculation is very effective in discovering errors in a macromolecular structure determination. A Fortran program called OMIT has been written to calculate such maps and an investigation has been carried out into which coefficients for the map calculation produce the best OMIT maps. Testing of the program on Savinase showed that the best overall results were obtained when |Fo| without figure of merit was used. In regions where the map is incorrect, the most interesting OMIT maps are produced when only the figure of merit, or modified SIGMAA coefficients, are used as the initial map amplitude coefficients. Thus, these tests suggest that such OMIT maps are particularly useful to reconstruct the macromolecular model in the grossly incorrect regions of the model.

Критерій вибору ефективної стратегії функціонування транспортного підприємства в межах мікрологістичної системи

Обґрунтовується критерій вибору ефективної стратегії функціонування транспортного підприємства в межах мікрологістичної системи

Novel biocatalysts by identification and design

Enzymes produced from bacteria and eukaryotic organisms are presently being used for a large variety of different biotechnological applications. The rapidly increasing demand for enzymes which are active towards novel and often non-natural substrates has triggered the development of novel molecular biological methods of enzyme isolation and design. The metagenome approach is a cultivation-independent method which allows the direct cloning and expression of environmental DNA thereby providing access to a wealth of so-far unknown biocatalysts. Additionally, newly identified or existing biocatalysts can be further optimized by different methods of directed evolution. Here, the principle of the metagenome approach is outlined and a strategy is presented for the optimization of a bacterial lipase using a combination of rational design and directed evolution.