You could try putting this into the Zanuda server http://www.ysbl.york.ac.uk/YSBLPrograms/
which will search for possible correct spacegroups given the coordinates and structure factors. There are however no reasons why you can't have a pseudo-cubic monoclinic lattice, however "unlikely" it is. Best wishes, Graeme On 25 October 2013 01:55, 유상헌 <s...@snu.ac.kr> wrote: > Hi everyone,**** > > ** ** > > Recently I’ve got a protein crystal and I did indexing and scaling with a > cubic space group (unit cell 104.115 104.115 104.115 90.0 90.0 90.0). But > a Rmerge value was too high (around 0.5-0.6). So, I tried lower symmetry > space groups and I successfully solved the structure with a space group P21 > (Rwork/Rfree: 0.22/0.27). However, there was one strange fact. The unit > cell of the P21 was 104.209 104.225 104.254 90.000 89.967 90.000. I’m > confused with this fact that a, b, and c of the unit cell are almost same, > and in addition, the beta angle is too close to 90. I didn’t do refinement > with a twin option. So, is the space group correct? Is there anyone who > know this case?**** > > ** ** > > Thanks,**** > > ** ** > > Sangheon Yu**** > > Rm. 1053 Bldg. 200**** > > School of Agricultural Biotechnology**** > > College of Agriculture & Life Sciences**** > > Seoul National University**** > > Seoul 151-921, KOREA **** > > ** ** > > ** ** >
