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The model rebuilding and refinement were carried out with COOT [38] and refinement using REFMAC [39].
Manual model rebuilding between refinement cycles was performed using Coot [40].
This combined solution was subjected to multiple cycles of refinement in Refmac5 to 2.7 Å resolution [28], followed by model rebuilding in the program O [29].
Manual model rebuilding was done with Coot [62], and structure refinement and the addition of waters was done with CNS [63].
After iterations of model rebuilding using COOT [38] and refinement using REFMAC [39] the final structure has been refined with peak wavelength data to a Rwork and Rfree of 0.238 and 0.296, respectively (Table 3).
Subsequent iterative cycles of refinement were performed for each crystal form including model rebuilding with COOT, refinement with PHENIX, and automatic model rebuilding with ARP.
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Figure 8 ARIMA model rebuild times.
Figure 10 Multiple ARIMA model rebuild times.
We can see that the ARIMA model rebuild times decreases with the increase of error threshold.
We can draw the conclusion that error threshold is inversely proportional to ARIMA model rebuild times.
And historical data length has no prominent influence on ARIMA model rebuild times.
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Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com