09, 2011 9:46 AM
To: CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb] regarding refinement and structure determination by MR
Dear experts,
I got two questions regarding refinement and structure
determination by MR.
1.I got a dataset of resolution at 2A refined to Rva
First Q.
Checking the refined structure in detail..
This is personal.
Basic - run REFMAC with monitor many - that lists really bad bonds,
chirality, symmetry clashes etc, but frankly by the time you are at
R=20% there shouldnt be many of those..
You need to be sure you have described any CIS pe
1. I would recommend to use Molprobity on the website:
http://molprobity.biochem.duke.edu/
2. Remember that if your spacegroup is P1, the origin (i.e. translations along
a, b and c) is not determined and the first molecule may be placed anywhere.
Similarly, in monoclinic spacegroups, the transla
