Dear all,
I have a perfectly twinned dataset.
At first, I determined that the spacegroup was P43212 and could find MR solution using Molrep. There were two molecules in the ASU, and the initial R-factor was about 0.5. After a cycle of rebuilding and refinement the R-factor dropped to 0.36. The density map calculated from the new model was good, and some omitted parts of the initial model also have clear densities. I found there were also many other densities outside the molecules. I could dock part of an other model in them, but the remaining parts would overlap on the existing molecules.
I processed the data again in P4 spacegroup and found the data was perfectly twinned with a twinning fraction of 0.48. It is said that perfect twinned data is difficult to detwin.
Does anybody have successful experience with perfect twinned data? Any suggestion will be apperciated.
Minghui Li
National Laboratory of Biomacromolecules
Institute of Biophysics,
Academia Sinica
Tel: 86-10-64888507
E-mail: lmh@moon.ibp.ac.cn