Overcoming the false-minima problem in direct methods: structure determination of the packaging enzyme P4 from bacteriophage φ13

Meier, C.; Mancini, E.J.; Bamford, D.H.; Walsh, M.A.; Stuart, D.I.; Grimes, J.M.

doi:10.1107/S0907444905019761

Acta Crystallographica Section D
Acta Crystallographica
Section D STRUCTURAL BIOLOGY

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Figure 4
Histogram of R_min values obtained from the program SnB (Weeks & Miller, 1999

). (a) Apart from the large noise peak (highest R_min), there are two significant peaks representing two classes of solutions. Analysis shows that only peak B (lowest R_min values) contains solutions which have the correct representation of all four hexamers in the asymmetric unit (b). Peak C corresponds to false minima (c). 1000 iterations were performed in total. (b) A correct solution [from peak B in (a)]. (c) An incorrect solution [from peak C in (a)]: in this case the four hexamers have consistent enantiomorphs but are misplaced. Only the contents of one crystallographic asymmetric unit (four hexamers) are shown.

STRUCTURAL
BIOLOGY

ISSN: 2059-7983

Volume 61| Part 9| September 2005| Pages 1238-1244

https://doi.org/10.1107/S0907444905019761

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