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Figure 9
Phasing and expansion results from ARCIMBOLDO for HTH target 2ISZ with ideal search fragments. (a) HTH fragment (residues 27–52 from 2ISZ ): Phaser TFZ scores in the range 7–9 and SHELXE CCs of 11–12%. (b) Three-helix bundle HTH fragment cut out from the target structure (residues 1–52 from 2ISZ ): the Phaser TFZ scores are quite promising with values of around 20, but SHELXE correlation coefficients of <20% after density modification and auto-tracing indicate that SHELXE could not further improve the structure. (c) Three-helix bundle HTH fragment (52 residues) with a 10 bp DNA fragment: the Phaser TFZ scores are again around 20 but the SHELXE CCs are slightly lower (16%). (d) Trimmed three-helix bundle HTH fragment (highly flexible residues 1–5 removed) and all side chains set to alanine: the Phaser TFZ scores are drastically decreased to ∼8 and the SHELXE CCs remain <12%.

Journal logoBIOLOGICAL
ISSN: 1399-0047
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