Journal
ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY
Volume 64, Issue -, Pages 515-524Publisher
BLACKWELL PUBLISHING
DOI: 10.1107/S0907444908004319
Keywords
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Funding
- NIGMS NIH HHS [P01 GM063210-020002, P01 GM063210-060002, P01 GM063210-070002, 1P01 GM063210, P01 GM063210-010002, P01 GM063210] Funding Source: Medline
- Wellcome Trust Funding Source: Medline
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A procedure for carrying out iterative model building, density modification and refinement is presented in which the density in an OMIT region is essentially unbiased by an atomic model. Density from a set of overlapping OMIT regions can be combined to create a composite 'iterative-build' OMIT map that is everywhere unbiased by an atomic model but also everywhere benefiting from the model-based information present elsewhere in the unit cell. The procedure may have applications in the validation of specific features in atomic models as well as in overall model validation. The procedure is demonstrated with a molecular-replacement structure and with an experimentally phased structure and a variation on the method is demonstrated by removing model bias from a structure from the Protein Data Bank.
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