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Hello everyone,

I am refining a 2.5 angstrom structure whose phase is solved by molecular
replacement with a search probe determined by SAD with 3 angstrom
resolution. While I am able to see densities of a bunch of water molecules
and ligands in the MR solved structure, which means that the phase is
correct, the Rfree gets stuck at ~27%. The crystal belongs to P3221 and has
a twinning fraction of 19%, according to Xtriage. Currently I've been
sticking to Phenix for refinement, and twin law (-h, -k, l) has been
applied.

I was wondering if the CCP4 community would have any suggestions of how to
refine this twinned structure, such as softwares to use, tricky strategies
to choose, etc. I really appreciate any recommendations you would come up
with my situation!

Thank you in advance!

Best,
Mengbin

-- 
Mengbin Chen
PhD Candidate
Christianson Laboratory
Department of Chemistry
University of Pennsylvania
231 S. 34th Street, #323
Philadelphia, PA 19104 USA
Phone: (215)898-2227
Email: [log in to unmask]