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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).
Its X-ray structure has been refined showing a complex arrangement of head-to-tail dimers of the TTF-bzip moieties and a 1D network of short contacts between the NIT radicals.
The apoenzyme crystallized in the orthorhombic space group P212121 with two molecules in the asymmetric unit and the structure has been refined to the final R-factor of 20.7%.
The KNI-10006 bound enzyme crystallized in the tetragonal space group P43 with four molecules in the asymmetric unit and the structure has been refined to the final R-factor of 21.1%.
The structure has been refined to an R-value of 18.7% (R free = 21.9%) with good geometry.
The structure has been refined to 2.15 Å with an Rcryst of 0.189 and Rfree of 0.235.
Similar(49)
For each of the three structures, a difference map showing the scissile and C-terminal tail regions of the substrate, as well as the side chain of His 64 and the contents of the anion-binding pocket, was calculated before these components had been added to the structure, but after the remainder of the structure had been refined.
The complete structure of MgSeO4·9H2O has been refined from neutron single-crystal diffraction data obtained at 5, 100, 175 and 250 K.
More recently, the 3-D structure of human PNP has been refined to 2.3 Å resolution, which allowed a redefinition of the residues involved in the substrate-binding sites and provided a more reliable model for structure-based design of inhibitors.
The structure of the title compound has been refined by single-crystal synchrotron X-ray diffraction combined with spherical-aberration-corrected scanning transmission electron microscopy.
Its limitations can be partly overcome because it is wired to the auditory nerve; by the time its information reaches higher structures in the brain, it has been refined.
More suggestions(15)
structure has been characterized
structure has been defined
structure has been informed
structure has been revised
structure has been identified
structure has been established
structure has been solved
structure has been highlighted
structure has been demonstrated
structure has been found
structure has been dated
structure has been reported
structure has been weakened
structure has been evaluated
structure has been thrown
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