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Initial refinement was carried out with the program CNS and mutations were gradually built into the electron density, followed by further positional and isotropic B-factor refinement.
136 of 138 residues were automatically built into the electron density and the sequence was assigned by the program ARP/warp [61], and the remaining N- and C-terminal residues were manually modeled into the electron density via the program COOT [62].
The ligand was then built into the electron density using the program COOT and the model subjected to alternating cycles of refinement and rebuilding.
Models for the three MIT molecules in the asymmetric unit were initially built into the electron density and the ULK3 IST1 models were rebuilt de novo in Coot (Emsley et al., 2010) and refined in PHENIX.
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A long molecule of polyethylene glycol (PEG) was built into the electron-density maps identified in a long tunnel formed by a crystallographic dimer of AaegOBP1.
The sequence of hsolAC was built into the resulting electron density map.
Residues of the CycT1 TRM were omitted from the model used for molecular replacement and subsequently built into the omit electron density.
A poly Ala model derived from Lsm3 (PDB code 3BW1 chain A) excluding loop4 (between β3 and β4) was built into the initial electron density map calculated at a resolution of 3.7 Å using O to generate a poly Ala seven-membered ring model.
A model was manually built into the modified experimental electron density using COOT (Emsley and Cowtan, 2004) and further refined in PHENIX.
The former conformation can also be seen in the electron density, although this binding mode is so subtle that it did not refine well and was not built into the final structure.
Compared with LCD sets, reducing the energy requirements of plasma panels still further is difficult given the need to strip reluctant electrons off atoms of xenon or neon gas trapped in thousands of minuscule glass beads built into the screen.
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