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Abstract
A phase refinement program for high-resolution macromolecular structures is described. The mean phase error of an initial structural solution can often be as large as 60° prior to attempting a refinement, but theCRUNCHprogram procedure may allow one to reduce this phase error to 10 or 20° for all data prior to actually inspecting any map to see how well it may fit a structural model. The procedure is similar to the real/reciprocal space refinement loop incorporated in thehalf-bakedalgorithm described by Sheldrick [Sheldrick & Gould (1995).Acta Cryst.B51, 423–431.] Refinement results are presented for nine different structures which diffract to better than 1.2 Å resolution. The program and test data are availableviaanonymous ftp (nexus.hwi.buffalo.edu).
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