Hello again, the R- and R-free are pretty high so there might be a problem with the space group or you may not have found all the molecules in the asymmetric unit. Are there big gaps in the packing with electron density to suggest additional molecules? Have you tried the option to input the current solution as a starting structure to see if the MR finds any more subunits. Is there any flexibility within your structure which could lead to domains having different orientations or visibility in your map? Can the model be split further into domains? The diffraction pattern does show a fair amount of splitting. MOSFLM might even be able to get additional lattices for you. I haven't done this stuff for a bit so others will know more about DIALS, etc ;-0 It would be good to see the results of twinning tests, if you have any. The one from CTRUNCATE, if you have it, is quite good.
Best wishes, Jon Cooper. jon.b.coo...@protonmail.com Sent from Proton Mail mobile -------- Original Message -------- On 21 Jul 2023, 04:10, Lande wrote: > Dear Eleanor and Jon, > > Thank you for your replies. My good datasets are in P212121 space group and > unit cell 56.67 60.53 67.51 90.00 90.00 90.00 ,2 copies in ASU. The tNCS one > is in C2221 space group and unit cell 122.32 134.88 55.45 90.00 90.00 90.00. > Matthews suggests 4 copies and I tried 4-6 copies to search in phaser (only 4 > copies in solutions). For fractional coordinate, it is 1/2 and the > Rfree/Rwork is 0.4877/0.4466. This is another topic I can hardly found in > modern crystallography textbooks...... > > Here I also attached the self rotaion fuction. I guess there might be 8 peaks > but honestly I have no idea how to read those graphs. There is another > screenshot of "more tNCS" image. > > Many thanks to your help. > > regards, > Lande Fu > > --------------------------------------------------------------- > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 ######################################################################## 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/
