Hi everyone, I started my work on data processing in protein crystallography about half year ago and have done a fair number of “easy” structures. Recently, I processed a tutorial structure containing 3 different domains and two chains of them (in particular, it’s “ mth685, high resolution data” from ccp4 legacy tutorial), but it was failed during MR process.
According to this tutorial, I did MR with MOLREP by adding each domain in order. The first and second added domains, which are domain 1 from chain A and domain 2 from chain B, are correct; however, when I tried to add the next domain, R work/R free did not drop and clearly MOLREP did not find the correct solution according to the density map. I also tried Phaser but the result was the same.
screen shot for domain 2 in chain A: https://ibb.co/YB2JnRR
<a href=""><img src="" alt="screenshot-on-wrong-domain" border="0"></a><br /><a target='_blank' href=''>pio pio 3 menu</a><br />
In addition, I found an article on that data (https://journals.iucr.org/d/issues/2008/01/00/ba5117/index.html) but I failed to get the same result expect the first two domains.
I wonder if anyone has done this tutorial before or has faced similar problems in his own work. I have no idea on how to deal with it. Any suggestions or comments will be helpful. Thanks in ahead.
Link for that tutorial: ftp://ftp.ccp4.ac.uk/tutorials/ccp4_phasing/7_domains/mth685.pdf
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