C. Giacovazzo et D. Siliqi, IMPROVING DIRECT-METHODS PHASES BY HEAVY-ATOM INFORMATION AND SOLVENTFLATTENING, Acta crystallographica. Section A, Foundations of crystallography, 53, 1997, pp. 789-798
In a recent series of papers, a procedure has been described for phasi
ng all the reflections up to derivative resolution by using triplet ph
ase relationships [Giacovazzo, Cascarano & Zheng (1988). Acta Cryst. A
44, 45-51]. The resulting electron-density maps show good correlation
with the correct maps but usually are not straightforwardly interpreta
ble. In this paper, the quality of the phases is improved by: (a) expl
oiting the information on the heavy-atom structure, which becomes avai
lable as soon as protein phases are available; (b) applying a suitable
solvent-flattening procedure (FLEX), which proves highly effective in
reducing the phase error.