SIMBAD: a sequence-independent molecular-replacement pipeline.

ABSTRACT: The conventional approach to finding structurally similar search models for use in molecular replacement (MR) is to use the sequence of the target to search against those of a set of known structures. Sequence similarity often correlates with structure similarity. Given sufficient similarity, a known structure correctly positioned in the target cell by the MR process can provide an approximation to the unknown phases of the target. An alternative approach to identifying homologous structures suitable for MR is to exploit the measured data directly, comparing the lattice parameters or the experimentally derived structure-factor amplitudes with those of known structures. Here, SIMBAD, a new sequence-independent MR pipeline which implements these approaches, is presented. SIMBAD can identify

SUBMITTER: Simpkin AJ 

PROVIDER: S-EPMC6038384 | biostudies-literature | 2018 Jul

REPOSITORIES: biostudies-literature