Contribution to the development of phasing techniques for macromolecular crystallography

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Project objective

Research objectives and content The project is part of an ongoing programme aiming at the integration of all macromolecular crustallographic phasing techniques within a single computational scheme based on Bayesian inference, and implemented within computer programs currently being developed at the host institution. In particular, the proposed research will focus on two phasing techniques for macromolecular structure determination: 1. Bayesian Density Modification, which will be carried out by automatic definition and updating of molecular envelopes, and by detection and exploitation of non-cqstaUographic symmetry elements; 2. Simultaneous refinement of a partial structure by Maximum Likelihood and completion of it by Maximum Entropy, incorporating any available experimental sources of phase information. Training content (objective, benefit and expected impact) The objectives of the proposed research are all macromolecular in content the applicant primarily desires to gain a thorough training in macromolecular crystollographic At the same time, both the tasks listed above build on the applicant's strong expertise in high-resolution crystallic studies of accurate charge densities: the macromolecular work will thus benefit from a valuable fresh input from his past work in that field.The integrated treatment of these two sources of structural information will improve the phasingI power of conventional crtstallographic techniques and hence ease the determination of difficult macromolecular crystal structures.

Original text from CORDIS.

Participants

• MRC Laboratory of Molecular Biology · CambridgeCoordinatorUnited Kingdom

Links

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