Dear Jeorge, you'll find some information about this in http://strucbio.biologie.uni-konstanz.de/xdswiki/index.php/Space_group_determination . A practical and easy way is described in http://strucbio.biologie.uni-konstanz.de/xdswiki/index.php/Pointless
HTH, Kay On Mon, 26 Jan 2015 11:24:27 +0100, Tim Gruene <t...@shelx.uni-ac.gwdg.de> wrote: >Dear Jeorge, > >XDS make no claim to determine the SPACE GROUP but rather the LAUE >GROUP, as only the latter is taken into account during data integration. > >This is definitely so during the indexing step (IDXREF.LP), but even in >CORRECT, when systematic absences are sometimes indicated, XDS does not >really choose the space group. > >Best, >Tim > >On 01/26/2015 05:46 AM, jeorgemarley thomas wrote: >> Hello Dr. Randy >> Here is the IDXREF.LP I got in which, on the basis of quality of fit, I >> went for this space group well I would also try for the other screw axes. >> So should I Integrate the data from beginning with all possible screw axes >> of orthogonal space group? I am attaching the IDXREF.LP screen shot here. >> >> Jeorge >> >> On Sun, Jan 25, 2015 at 5:00 PM, Roger Rowlett <rrowl...@colgate.edu> wrote: >> >>> Did you search all 8 possibilities of screw axes, e.g. P2221, P21212, >>> P212121, etc? >>> >>> Roger Rowlett >>> On Jan 25, 2015 4:50 AM, "jeorgemarley thomas" <kirtswab...@gmail.com> >>> wrote: >>> >>>> Hi, I have processed the data using XDS and space group found to be P 2 2 >>>> 2 (16) and I used the phaser MR for first phase determination. The model I >>>> have used has has more than 70 % sequence identity, when I run the phaser I >>>> got the message which I have attached here. And only sum. file I got as an >>>> output. Does any one have suggestion what should I do ? I would highly >>>> appreciate your kind suggestions. Thank you in advance. >>>> >>>> >>>> >> > >-- >Dr Tim Gruene >Institut fuer anorganische Chemie >Tammannstr. 4 >D-37077 Goettingen > >GPG Key ID = A46BEE1A > >
