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Well that is pretty obviously P 2 21 2 - h 0 0 and l 0 0 are obviously present.. The 0 k 0 absences could be generated by a nc translation of x, 1/2, z - do you have that? Twinning is unusual in P2/mmm but possible of course - can you send the pointless log file? Eleanor On 9 August 2018 at 09:11, Kajander, Tommi A <[log in to unmask]> wrote: > Hi Tim - There are reflections in all directions and only one clearly has > systematic absenses. Although only few seem to be present in one direction > (But thats the h00 direction here > + all are present though) -phaser finds with same data P22121 as the > strongest solution (few reflections are weak in that direction from below… > but most not). TZ-score diffrence is not > hure 13 vs 15. > > P 2 2 21 > ( 0, 0, 5): i/sigi = 20.8 > ( 0, 0, 7): i/sigi = 19.6 > ( 0, 0, 9): i/sigi = 21.0 > ( 0, 0, 11): i/sigi = 1.9 > ( 0, 0, 13): i/sigi = 21.0 > ( 0, 0, 15): i/sigi = 6.0 > ( 0, 0, 17): i/sigi = 20.8 > ( 0, 0, 19): i/sigi = 0.9 > ( 0, 0, 21): i/sigi = 9.0 > ( 0, 0, 23): i/sigi = 1.0 > ( 0, 0, 25): i/sigi = 4.9 > ( 0, 0, 27): i/sigi = 19.9 > ( 0, 0, 29): i/sigi = 20.9 > ( 0, 0, 31): i/sigi = 20.2 > ( 0, 0, 33): i/sigi = 19.1 > ( 0, 0, 35): i/sigi = 18.2 > ( 0, 0, 37): i/sigi = 13.1 > ( 0, 0, 39): i/sigi = 20.8 > ( 0, 0, 41): i/sigi = 8.9 > ( 0, 0, 43): i/sigi = 12.7 > ( 0, 0, 45): i/sigi = 2.5 > ( 0, 0, 47): i/sigi = 0.8 > P 21 2 2 > ( 3, 0, 0): i/sigi = 31.2 > ( 5, 0, 0): i/sigi = 25.2 > ( 7, 0, 0): i/sigi = 21.0 > ( 9, 0, 0): i/sigi = 2.6 > P 2 21 2 > ( 0, 5, 0): i/sigi = 0.7 > ( 0, 7, 0): i/sigi = 0.7 > ( 0, 9, 0): i/sigi = 0.7 > ( 0, 11, 0): i/sigi = 1.1 > ( 0, 13, 0): i/sigi = 1.0 > ( 0, 15, 0): i/sigi = 1.5 > ( 0, 17, 0): i/sigi = 0.7 > ( 0, 19, 0): i/sigi = 0.7 > ( 0, 21, 0): i/sigi = 0.7 > ( 0, 23, 0): i/sigi = 0.8 > ( 0, 25, 0): i/sigi = 0.7 > ( 0, 29, 0): i/sigi = 0.7 > ( 0, 31, 0): i/sigi = 0.8 > ( 0, 33, 0): i/sigi = 0.7 > ( 0, 35, 0): i/sigi = 0.7 > ( 0, 37, 0): i/sigi = 0.9 > ( 0, 39, 0): i/sigi = 0.7 > ( 0, 41, 0): i/sigi = 0.7 > ( 0, 43, 0): i/sigi = 0.7 > > > Neither seem to refine now so have to work on it a bit more beyond this - > we see the same “conflict" with two different crystals - seems complicated > - the other one processed much > better in P21 and seemed possibly twinned. Maybe the case here too. > > Tommi > > > > > > On Aug 9, 2018, at 10:29 AM, Tim Gruene <[log in to unmask]> wrote: > > Dear Tommi, > > did you check whether you collected any reflections at all that should > be absent for the second screw axis? If there are non - which could > easily happen with low resolution, incomplete data - pointless and XDS > might be conservative and not estimate the likelihood for the second > screw-axis. > > MR, however, will pick up the space group with all data, and thus be > able to tell between P2212 and P22121 whether or not you recorded > reflections that are expected to be absent. > > Best, > Tim > > On 08/08/2018 04:29 PM, Kajander, Tommi A wrote: > > Hi, > Any clues why the followting happens: pointless (and just looking at the > XDS output) clearly tells there is one screw axis in P-ortorhombic (P2212) > yet phaser gives the best Z-scores in P22121. (...I suspect this may be to > do with twinning - might be monoclinic twiined still though now processes > very well in P222.) > > If i run the mtz after XDSCONV (ie F2MTZ) via pointless (instead of > directly after XDS) it also suggests this - but i suppose i am not suppose > to run merged data via pointless. > > Thanks for comments, > > Tommi > > ######################################################################## > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 > > > -- > -- > Paul Scherrer Institut > Tim Gruene > - persoenlich - > OSUA/204 > CH-5232 Villigen PSI > phone: +41 (0)56 310 5297 > > GPG Key ID = A46BEE1A > > > Tommi Kajander, PhD > Senior Scientist > Structural Biology Program > Institute of Biotechnology > Biocenter 3, Viikinkaari > <https://maps.google.com/?q=3,+Viikinkaari&entry=gmail&source=g> 1 (PO > Box 65) > University of Helsinki > > > > > > ------------------------------ > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 > ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1