Figure 1
PMRDD test applied to a xylose isomerase serial dataset collected at T-REXX. Each panel shows a PyMOL (v.2.5.0; Schrödinger) generated equivalent of a Coot (Emsley et al., 2010 ) screenshot, showing 2mFo − DFc electron-density maps contoured at 1.5 r.m.s.d. (blue mesh) and mFo − DFc electron-density maps contoured at ±3.0 r.m.s.d. (green, +3.0 r.m.s.d.; red, −3.0 r.m.s.d. mesh). In each panel, the `true' starting model is shown as sticks with carbons coloured orange. The edited `PMRDD model' is shown as sticks with carbons coloured yellow. In each panel, an inset box indicates the number of diffraction patterns included in the merge (number of crystals) and summarizes the key data-quality metrics [completeness (%), multiplicity, signal-to-noise ratio, Rsplit (%) (White et al., 2012 ), CC1/2 (%) (Assmann et al., 2016 ) and overall Rwork and Rfree (%)]. A complete table of data-quality statistics can be found in Supplementary Table S1. |