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"Automated MAD and MIR structure
solution," by Thomas C.
Terwilliger and Joel Berendzen, Acta Crystallographica Section D-Biological
Crystallography, 55(Part 4):849-61, April 1999.
[Authors' affiliation: Los Alamos National
Laboratory, NM]
Abstract: "Obtaining an
electron-density map from X-ray diffraction data can be difficult and
time-consuming even after the data have been collected, largely because MIR
and MAD structure determinations currently require many subjective evaluations
of the qualities of trial heavy-atom partial structures before a correct
heavy-atom solution is obtained. A set of criteria for evaluating the quality
of heavy-atom partial solutions in macromolecular crystallography have been
developed. These have allowed the conversion of the crystal structure-solution
process into an optimization problem and have allowed its automation. The
SOLVE software has been used to solve MAD data sets with as many as 52
selenium sites in the asymmetric unit. The automated structure-solution
process developed is a major step towards the fully automated
structure-determination, model-building and refinement procedure which is
needed for genomic scale structure determination."
This 1999 report from Acta
Crystallographica D was cited 29 times in current journal
articles indexed in the ISI database during September-October 2000. Repeating
its placement during the previous bimonthly tally, for July-August, this was
the second most-cited of any chemistry paper published in the last two years
(excluding reviews). Prior to the most recent bimonthly count, citations to
the paper have accrued as follows:
July-August 2000: 20 citations
May-June 2000: 19
March-April 2000: 13
January-February 2000: 13
November-December 1999: 7
September-October 1999: 3
July-August 1999: 4
May-June 1999: 2
Total citations to date: 110
SOURCE: Hot
Papers Database (Available from the ISI
Research Services Group in a CD-ROM version containing data on
hundreds of highly cited papers published during the last two years.
User interface permits searching by author, organization, journal,
field, and more. Total citations, as well as citations accrued during
successive bimonthly periods, can be assessed and graphed. Database is
combined with subscription to the ISI newsletter Science
Watch®; updated discs containing the
most recent bimonthly data are mailed with each new issue, six times a
year.)
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