 | Acta Crystallographica Section F Acta Crystallographica Section F STRUCTURAL BIOLOGY COMMUNICATIONS |
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![[Figure 2]](ir5024fig2mag.jpg)
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Figure 2
Report plots given by PAIREF from three different runs of paired refinement using phenix.refine with the thermolysin data. The differences in the overall R values were obtained as follows: for each incremental step of resolution increase X→Y, the R values were calculated at the lower resolution X. (a) Run 1: differences in the overall R values; resolution shells with a width of 0.10 Å were added stepwise. Rfree decreases up to 1.60 Å resolution, indicating model improvement. (b) Run 2: graph of Rgap calculated using data up to 1.8 Å resolution depending on the high-resolution cutoff; resolution shells with a width of 0.01 Å were added stepwise. Minimal Rgap is observed at 1.52 Å resolution. (c) Run 3: differences in the overall R values averaged over all 20 sets of test reflections. The standard error of the mean is shown in orange. (d) Run 3: differences in the overall R values relating to all 20 sets of test reflections for the incremental step of resolution from 1.6 to 1.5 Å. Despite the increasing Rfree value while using the original set (test flag equals 0) and four other sets, Rfree decreases for 14 sets. After averaging over all 20 sets, a decreasing trend is observed for this resolution shell. |
![[Figure 2]](ir5024fig2.jpg)
| STRUCTURAL BIOLOGY COMMUNICATIONS |
ISSN: 2053-230X
