As others say - the Rfactors look pretty good for MR, mine usually start over 50% even with a better model and one hopes they then decrease.. But you say you took the Balbes model into phaser? and I think Balbes automatically runs cycles of refinement so any comment on R factors may not mean much.
Have you found both molecules in the asymmetric unit? You only give LLG for one? Eleanor On 19 June 2013 17:44, Eugene Valkov <eugene.val...@gmail.com> wrote: > Yes, I would agree with Francis that diffraction shows contribution from > several lattices, which could lead to misindexing. However, it should be > feasible to get a model that refines from this sort of data. > > Pramod - could you please post your data processing statistics from your > scaling program? Better if you have several for different spacegroups. > > Also, I have no idea how HKL200 does this, but could you please provide an > indexing solution table from Mosflm that shows penalties associated with > each type of space group? Was there a sharp penalty drop at some point or > was it more gradual? > > When you index spots in Mosflm, do your predictions agree with the spots? > Or is there a substantial portion that are missed? > > I would consider altering thresholds in Mosflm for indexing (see the > manual). > > Eugene > > > > > On 19 June 2013 17:34, Francis E. Reyes <francis.re...@colorado.edu>wrote: > >> On Jun 17, 2013, at 12:36 PM, Pramod Kumar <pramod...@gmail.com> wrote: >> >> >> I have a crystal data diffracted around 2.9 A*, >> >> during the data reduction HKL2000 not convincingly showed the space >> group (indexed in lower symmetry p1), while the mosflm given C-centered >> Orthorhombic, and again with little play around HKL2000 given CO >> > >> >> >> >> > no ice ring is appeared, diffraction pattern looks ok, misindexing in >> any direction is not conclusive to me (plz see the imj attachment) >> >> The diffraction does not look ok... there's hints of multiple lattices... >> which is not a problem if the two lattice orientations do not perfectly >> overlap (i.e. their spots are separable). >> >> Last I remember, HKL2000 bases its indexing on the 'strongest' spots on >> an image (though you could manually select spots). It could result in a >> misindex if the strongest spots come from separate lattices (and even worse >> if you have twinning/pseudosymmetry issues). >> >> Try a program that uses all spots for indexing, across all images (XDS >> for example) and you might get the true space group. >> >> Or if the crystal is big enough, you could try shooting it in different >> areas and 'searching' for a better spot to collect data. >> >> Or 'grow a better crystal'. >> >> F >> >> >> >> --------------------------------------------- >> Francis E. Reyes PhD >> 215 UCB >> University of Colorado at Boulder >> > > > > -- > Dr Eugene Valkov > MRC Laboratory of Molecular Biology > Francis Crick Avenue > Cambridge Biomedical Campus > Cambridge CB2 0QH, U.K. > > Email: eval...@mrc-lmb.cam.ac.uk > Tel: +44 (0) 1223 407840 >
