Figure 2
Weighting of X-ray data in MOLREP. Top, the resolution-dependence of the weights which would be used (1) for a model with 20% identity and radius 20 Å and (2) for a model with 40% identity and radius 10 Å. Each weighting function is a band-pass filter defined as the product of the corresponding (middle) high-pass and (bottom) low-pass filters (Gonzales & Woods, 2002). The high-pass filter is defined by the size of the search model. The low-pass filter is defined by overall B factor (20 Å2 in the examples) and the sequence identity. The low-pass filter is a constant function in the case of 100% identity. Weights are applied to both the observed and calculated structure amplitudes, which are initially scaled to zero overall B factor. |