Hi Narayan My only comment would be that P622 is a fairly uncommon space group (currently 43 PDB entries excl homologs), but obviously that doesn't mean it's wrong - just worth double-checking! Just out of interest what's the CC(1/2) statistic for your highest shell?
Personally I specify more bins than the default (e.g. 20 instead of 10) so that the highest resolution bin would be somewhat narrower than yours. I would also prefer that the binning is done by equal steps in d*^3 rather than d*^2 as many programs do since this gives a more even spread of reflections in the bins and gives an even narrower binning at the high res end (though it does tend to lump all the low res data into 1 bin!). Cheers -- Ian On 18 July 2012 10:41, narayan viswam <nvisw...@gmail.com> wrote: > > > Hello CCP4ers, > > In my data, the highest reolution shell 2.8-3.0 A has I/sigmaI 2.5 & Rsym > 224.3 % for multiplicity 7.8 and completeness 98.2 %. I solved the structure > by MAD & refined it to Rfree 27.3 %. Ths crystal belongs to P622 space group > and it is not twinned. The water content is 68%. I loweredthe multiplicity > to 4.1 by excluding few images but still the Rsym is > 200 % and I/sigmaI > > 2.0. My rudimentary crystallography knowledge makes me believe it's quite Ok > to use data upto 2.8 A and report the statistics. Could I request people's > views. Thanks very much. > Narayan
