Density constraints and low-resolution phasing

Citation
Ag. Urzhumtsev et al., Density constraints and low-resolution phasing, ACT CRYST D, 56, 2000, pp. 1233-1244
Citations number
42
Categorie Soggetti
Chemistry & Analysis
Journal title
ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY
ISSN journal
09074449 → ACNP
Volume
56
Year of publication
2000
Part
10
Pages
1233 - 1244
Database
ISI
SICI code
0907-4449(200010)56:<1233:DCALP>2.0.ZU;2-V
Abstract
Direct phasing needs additional information of a non-specific kind in order to select the correct phase set from all possible ones. This paper analyse s the use of constraints which can be formulated in terms of electron-densi ty values. One- and multi-dimensional histograms and connectivity propertie s are implemented as such constraints in density-modification procedures. T hese approaches usually cannot unambiguously select the best solution from a set of alternative phase variants. Nevertheless, they do allow the reject ion of wrong solutions and the use of cluster analysis and averaging on the remaining variants provide a good starting point for further phase-refinem ent procedures.