Figure 5
Colour maps of various scores and values of the input Phaser r.m.s.d. against the truncation level for ensemble and single models. Results are displayed for the final variance-r.m.s. (VRMS) value from Phaser (a, b), the final log-likelihood gain (LLG) scores from Phaser (c, d), the final Rfree value from REFMAC after 100 cycles using jelly-body restraints (e, f), the SHELXE CC between the native structure factors and those calculated from the output polyalanine trace model (g, h) and the SHELXE output polyalanine trace model average chain length (ACL) (i, j). As a reference, the white boxes show the r.m.s.d. estimate calculated by pairwise alignment in GESAMT for the single search model against the target structure at each truncation level. |