BTW, I forgot to mention that phenix.autosol also gave similar result.
On Mon, Mar 31, 2014 at 5:46 PM, Chen Zhao <[email protected]> wrote: > Dear all, > > I am now trying to phase a structure in C2 using anomalous scattering at > 5-6 A. It is hard to improve the derivative resolution at the moment. > Shelxd is able to locate 6 sites with a distinct CC and FOM. After density > modification in shelxe, the contrast of the two enantiomers is 0.59/0.38 > for SAD and 0.7/0.3 for MAD. When I looked at the electron density, the > maps from SAD and MAD are similar, and the solvent boundary is quite clear. > However, the problem is that the electron density blob passes through the > 2-fold rotation axis, even at 3 rmsd contour level. Also, the unit cell > seems to be too small for the molecule. I am afraid that the space group > assignment is wrong, but I am a beginner so I nearly have no clue. I did > reprocess the data in P1 and looked at the self-rotation function with a > radius at 200 A. From the list it seems that there is only one 2-fold > rotation axis. I am quite confused. Could anybody give me some hint of this > problem? > > Thanks a lot in advance! > > Sincerely, > Chen >
