 | Acta Crystallographica Section D Acta Crystallographica Section D BIOLOGICAL CRYSTALLOGRAPHY |
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![[Figure 2]](rr5069fig2mag.jpg)
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Figure 2
Overview of the xMDFF workflow. Amplitudes Fobs from the X-ray diffraction data are combined with computed phases φcalc from a tentative model to produce an electron-density map Φ(r). Biasing forces ffit derived from a Φ(r)-dependent potential are used to flexibly fit the phasing model into the map, yielding structures most consistent with the electron density. With the most recently fitted structure as a new phasing model, density maps are synthesized and flexibly fitted until a structure is found with sufficiently low Rfree, providing the best possible interpretation of the diffraction data. |
![[Figure 2]](rr5069fig2.jpg)
| BIOLOGICAL CRYSTALLOGRAPHY |
ISSN: 1399-0047
