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The improved electron density indicates that L-BH binds in an extended mode (Fig 1E and F, and Supplementary Fig S1B) similar to L-IMH rathan then the "U-shaped" folded conformation seen in the crystal structure from the small molecule database (Delgado et al, 2007), which was modelled previously (Weyand et al, 2008).
The strong H-bonding network is responsible for the improved electron density around OH groups.
The improved electron density map is shown in Fig. 2C: Cycle 2, and more correctly positioned Cα atoms were built automatically (Table S3).
We present a method by which we combine IRI-95 predictions of electron density with ionospheric tomography data to provide an improved electron density estimate.
Refinement of the partial model using CNS (Brünger et al., 1998 ) yielded an improved electron density map that clearly showed all 10 residues of the co-crystallized Hsp70 peptide.
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Anyway, it is cost-efficient to improve electron density measurement of the CBCT.
The presence of doped boron improves the electron density and increases the defect sites, resulting in the acceleration of electron transfer rate through the graphitic network.
Removing the NCS restraints resulted in increasing the Rfree value and did not improve the electron density.
With iterative model building and refinement, the model phases gradually improved and the electron density maps became better defined.
Therefore, the light-harvesting efficiency was improved and photogenerated electron density was also increased.
Rigid body refinement by Refmac [48] further improved the overall electron density and revealed extra electron densities corresponding to Rrp4 in the Fo-Fc difference map.
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