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wARP: improvement and extension of crystallographic phases by weighted averaging of multiple-refined dummy atomic models.

A Perrakis ,
T K Sixma ,
K S Wilson ,
V S Lamzin

Abstract

wARP is a procedure that substantially improves crystallographic phases (and subsequently electron-density maps) as an additional step after density-modification methods such as solvent flattening and averaging. The initial phase set is used to create a number of dummy atom models which are subjected to least-squares or maximum-likelihood refinement and iterative model updating in an automated refinement procedure (ARP). Averaging of the phase sets calculated from the refined output models and weighting of structure factors by their similarity to an average vector results in a phase set that improves and extends the initial phases substantially. An important requirement is that the native data have a maximum resolution beyond approximately 2.4 A. The wARP procedure shortens the time-consuming step of model building in crystallographic structure determination and helps to prevent the introduction of errors.

More about this publication

Acta crystallographica. Section D, Biological crystallography

Volume 53
Issue nr. Pt 4
Pages 448-55
Publication date 01-07-1997

Full text links

Publisher website (DOI) 10.1107/S0907444997005696
Europe PubMed Central 15299911
Pubmed 15299911

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