ISSN:
1600-5724
Source:
Crystallography Journals Online : IUCR Backfile Archive 1948-2001
Topics:
Chemistry and Pharmacology
,
Geosciences
,
Physics
Notes:
The molecular replacement method (MR) is likely to cause significant systematic errors in the analysed structure. These errors are not always corrected automatically during least-squares refinement. It is therefore crucial that both the orientation and translation parameters are optimized before refinement is undertaken. The techniques used to achieve this depend either on the rigid-body refinement concept or on a six-dimensional R-factor minimization and all are expensive and time consuming. A simple procedure to refine the molecular replacement structure solution parameters is shown. It uses the existing restrained least-squares method, requires no new software, and is shown to be very effective.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1107/S0108767388010700
