On the use of low-resolution data for translation search in molecular replacement.
Low-resolution reflections (approximately 15 A and lower) are very useful for the translation search in molecular replacement because they are less sensitive to model errors compared with the traditionally used reflections of resolution 4-10 A. At low resolution, however, the contribution from the bulk solvent is quite significant and corresponding structure factors calculated from a macromolecular model cannot be compared with experimental values if this contribution is neglected. The proposed method provides a way of fast translation searches where low-resolution reflections are taken into account. Test calculations using several experimental data sets show a dramatic improvement in the signal after the bulk-solvent correction and low-resolution reflections were included in the calculation; this improvement allowed unambiguous identification of the solution.
Fokine
Andrei
A
LCM3B, UMR 7036 CNRS, Faculté des Sciences, Université Henry Poincaré, Nancy I, 54506 Vandoeuvre-lés-Nancy, France.
Urzhumtsev
Alexandre
A
D000465:Algorithms; D016208:Databases, Factual; D005583:Fourier Analysis; D015847:Interleukin-4 / Q000737:chemistry; D008958:Models, Molecular; D010940:Plant Proteins / Q000737:chemistry; D011506:Proteins / Q000737:chemistry*; D016159:Tumor Suppressor Protein p53 / Q000737:chemistry
C114195:CHF1 protein, Zea mays; D010940:Plant Proteins; D011506:Proteins; D016159:Tumor Suppressor Protein p53; D015847:Interleukin-4