Refined structures with similar low R values were selected, and the refined occupancies and B-factors were analysed.
Dowson, Hobbs and John Hopkins had refined structures to the point where industrial-style modules could produce buildings of extraordinary flexibility.
Two hundred refined structures were generated by the HADDOCK run, and the N-terminal of the FUNDC1 peptide was not converged among these structures.
Two hundred refined structures were generated by the HADDOCK run, and the N-terminal end of the FUNDC1 peptide was not converged among these structures (Fig. 6A).
The tensile test results revealed that despite the lower extent of TRIP and TWIP mechanisms by decreasing the grain size, the superior ductility preserved in grain refined structures.
They contain both high-quality refined structures and energy-minimized rigid-body structures.
These were subjected to potential energy minimization, and used to obtain average refined structures.
Geometries of the original x-ray subtype A and B and newly refined structures are almost identical (RMSD of ∼0.2 0.3 Å), including positions of the unpaired bases.
Moreover, the standard R, Rfree, and real-space R standard structure quality metrics all improved in the QM/MM X-ray refined structures.
To improve the areas of interaction between different protein subunits, we put the refined structures of all five subunits from an asymmetric unit into a single coordinate file and pseudo-crystallographically refined them simultaneously with their non-crystallographic symmetry.
