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Acta Crystallogr D Biol Crystallogr. 2001 Nov;57(Pt 11):1571-8. Epub 2001 Oct 25.

A quick solution: ab initio structure determination of a 19 kDa metalloproteinase using ACORN.

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  • 1York Structural Biology Laboratory, Chemistry Department, University of York, Heslington, York YO10 5DD, England.


A data set from the metalloproteinase deuterolysin was collected at atomic resolution (1.0 A) with synchrotron radiation. The high resolution allowed the structure to be solved with the new direct-methods program ACORN using the coordinates of the Zn atom as a starting point. The phases obtained from ACORN were of sufficient quality to allow automated building to be carried out in ARP/wARP. Minimal manual rebuilding of the model was required and the structure determination was completed using the maximum-likelihood refinement program REFMAC. The whole process, starting from the processed and merged data and ending with a refined model, required less than 6 h of computational time.

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