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
>

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