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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.
Almost 90% of all residues in the two polypeptide chains were initially modeled, followed by iterative cycles of model rebuilding with COOT, refinement with PHENIX, and automatic model rebuilding with ARP.
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Manual model rebuilding was done with Coot [62], and structure refinement and the addition of waters was done with CNS [63].
The resulting model was refined against the native data, where manual model rebuilding was carried out with Coot, and structure refinement with BUSTER (Global Phasing Ltd., Cambridge, UK).
The model rebuilding and refinement were carried out with COOT [38] and refinement using REFMAC [39].
Model refinement was interspersed with sessions of model rebuilding using the program Coot.
The initial output structures were subjected to iterative cycles of manual model rebuilding using COOT [ 26] alternated with refinement in Buster [ 27] for the GAK NbGAK_1 structure or REFMAC [ 28] for the GAK NbGAK_4 structures.
Each model was refined through iterative cycles of refinement with PHENIX and manual model rebuilding using COOT.
Refinement and model rebuilding proceeded smoothly via rigid body, positional, and later B factor optimization.
The model rebuilding procedures and refitting to ED maps has added value for many disciplines.
COOT (Emsley and Cowtan, 2004) was used for model rebuilding and adjustments.
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