Hi Shen,
I agree with Eleanor that the split spots will cause worse statistics, but
should not be a reason for molrep to fail.
What I would do:
Molecular replacement with a resolution cut of 3 or 3.5 Å.
Process and run molecular replacement in P1. You may have some tricky
pseudo-symmetry. With
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Here are some solved models information (no P 21):
1: 56.69, 75.87, 74.927; 90, 91.857, 90; P1 21 1;4 copies
in asynmm unit.
2: 46.732, 32.276, 51.065;90, 94.372, 90; P 1 21 1; 1
copy in ASU.
3. 115.631, 115.631, 101.828;90, 90, 90;I 41;2 copies
Hmm -
cell dimension of your solved model? Number of molecules in the P21 crystal?
Likely number of molecules in asymm unit for your new form?
Eleanor
On Mon, 11 Nov 2019 at 15:51, Xu, Shenyuan wrote:
> Hello Eleanor,
>
> I used the solved one as the input model. The space group of the
Hello Eleanor,
I used the solved one as the input model. The space group of the solved
crystals are: P1 21 1, and P 21.
I will turn the anomalous processing off.
Thanks,
Shen
On Mon, Nov 11, 2019 at 10:40 AM Eleanor Dodson
wrote:
> Why dont you use one of your solved structures as a model?
Why dont you use one of your solved structures as a model?
What space group are the solved ones in?
The split spots are not good, but they are well separated and integration
programs are not bad at such spacings? And your R merges etc look OK.
Just a Q - why turn off the anomalous processing. You
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To answer some queries - crystallisation lost in time - post doc has left
and I am left to do the deposition!. There are lots of PEG fragments built
but that is floating in the solvent..
Distances for N - O1 1.8
O1 - O2 1.7
O2-O3 1.8
A
Dear Eleanor,
Considering some (potential) very strong model bias here: is the
difference mFo-DFc map totally flat or just not shown in your picture?
Does the density come back as such if the three waters are removed?
Cheers
Clemens
On Thu, Nov 07, 2019 at 01:12:14PM +, Eleanor Dodson
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