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Initial refinement was conducted with Refmac, followed by several rounds of refinement with phenix.refine, which fixes rotamer geometry and water coordination and manually flips His/Asn/Gln residues.
The model building and structure refinement were conducted using the programs Coot and Phenix, respectively51,52.
The final 3D refinement was conducted on 98,155 particles with the gold-standard Fourier shell correlation (FSC) method (Scheres and Chen, 2012).
All stages of weighted full-matrix least-squares refinement were conducted using F o 2 data with the SHELXTL software package.
In order to achieve this, Bona et al. employ the h-adaptation technique [5, 6]: a spatial translation is used to keep the blow-up peak appearing near the fixed point (x=0.5) and local mesh refinement is conducted recursively right around this point.
Refinement was conducted using the PHENIX package [24].
Refinement was conducted by means of CNS [76] and Turbo FRODO [77] programs.
Therefore, subsequent structural refinement was conducted in space group P21.
Refinement was conducted using phenix.refine, interspersed with manual revisions of the model using Coot.
Refinement was conducted with Phenix, and manual model adjustments were made with Coot.
Thereafter, more review and refinement was conducted to ensure coherent patterns [ 31].
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