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Figure 8
Map correlation coefficient (CC; map CC for Phaser-generated map coefficients FWT and PHWT for MR placement and Phaser-generated map CC for target 1igj) for PDB entry 1igj solved using 2hfl pre-aligned with 1igj as shown in Fig. 3[link] and perturbed as shown in Fig. 7[link]. Solid lines show the CC after gyre and gimble, dotted lines show the CC for standard molecular replacement and dashed lines show the CC for gimble refinement only. The rotational restraint was 30° and the translational restraint was 2 Å. The input r.m.s.d. values were (a) 1.0 Å, (b) 2.0 Å and (c) 3.0 Å. (d) Convergence of the gyre-and-gimble-refined solution as a function of standard deviation of the rotational (σR) restraints and translational (σT) restraints (where →∞ indicates unrestrained) for 2hfl with a perturbation angle of +24°. Correlation coefficients are shown coloured by value (CC = 0.45, blue; CC = 0.38, yellow; CC = 0.30, gold; CC = 0.24, orange); grey indicates that molecular replacement failed. With gimble refinement only CC = 0.38 and with standard molecular replacement CC = 0.24. The black box in (d) indicates the value circled in orange in (a).

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ISSN: 2059-7983
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