Hi The rather delightfully named program "pointless" (see http://www.ccp4.ac.uk/prerelease_page.php#pointless for documentation ) from Phil Evans can be used to check the Laue group, the space group, and can also be used to output a reindexed dataset.
J Eleanor Dodson <[EMAIL PROTECTED]> wrote:> > Well - if you reindex k,l,h then your cell will be more or less the same > as theirs. > > But that moves the 2 fold axis. If your space group is truly P21212 with > those cell dimensions then it would become P21 2 21 > > However maybe you just know the point group? > > Check the absences > Eleanor > > > > > > > U Sam wrote: >> Hi >> I crystallized a protein in different condition than reported before >> and structure had been already reported by other group. In both cases >> space group is P21 21 2 >> Right now I am not interested in solving the structure, but to look >> for some other properties. >> I see a difference in cell dimension as follows. >> Reported structure >> a = 96.54 >> b = 121.95 >> c = 75.33 >> >> For my crystal >> a = 75.03 >> b = 96.50 >> c = 121.98 >> >> This the cell dimensions are ~equal in lengths but are associated with >> different axis compare to the reported crysta structure. I used >> HKL2000 for indexing. >> I would like to know why the above difference in cell dimensions. >> Is there any way I can index my data which would give cell parameters >> of reported structure? >> thanks in advance for any suggestion/comments. >> sam >> >> _________________________________________________________________ >> Find a local pizza place, movie theater, and moreĀ .then map the best >> route! http://maps.live.com/?icid=hmtag1&FORM=MGAC01 >> >> >> -- Professor James Whisstock NHMRC Principal Research Fellow / Monash University Senior Logan fellow Department of Biochemistry and Molecular Biology Monash University, Clayton Campus, PO Box 13d, VIC, 3800, Australia +613 9905 3747 (Phone) +613 9905 4699 (Fax) +61 418 170 585 (Mobile)
