Dear All, I have not had much experience in refining structure using data from twinned crystals and has started using CCP4i2 very recently only.
Here is a background: antigen-Fab crystal structure determined by MR first in P4(3)2(1)2 space group with 1-complex molecule in the asymmetric unit (ASU). Later, I reprocessed the data in P4(3) performed MR to search for the 2nd molecule and refined the structure using Refmac5 without the "twin" keyword. With the sequence fully modeled for the two complex molecules in the ASU current Rcryst = 27.8%and Rfree = 33.2%. Unit cell = "59.9, 59.9, 404.5, 90.0, 90.0, 90.0". Twin fraction estimates from Britton plot = 0.47 and from H-test = 0.43, as reported by AIMLESS. Then, attempted TWIN refinement in Refmac5 / CCP4i2 by adding the keyword "twin" in the advanced options. However, getting following error in the log-file: Error==> array size in mtz_refl_read_int <B><FONT COLOR="#FF0000"><!--SUMMARY_BEGIN--> Refmac: Problem with array sizes Does Refmac5 expects intensities here?!! Any help is greatly appreciated. Best Wishes, Partha ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
