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

Authors
  • McAuley, K E
  • Jia-Xing, Y
  • Dodson, E J
  • Lehmbeck, J
  • Østergaard, P R
  • Wilson, K S
Type
Published Article
Journal
Acta crystallographica. Section D, Biological crystallography
Publication Date
Nov 01, 2001
Volume
57
Issue
Pt 11
Pages
1571–1578
Identifiers
PMID: 11679721
Source
Medline
License
Unknown

Abstract

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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