Great that you have MR phases - it will help you identify heavy-atom
sites for phasing and perhaps even the sulphur sites will be enough.
Poul
On 11/08/2009, at 20.33, ManojSaxena wrote:
Hi all,
I am working with a protein that have 28% similar to my MR template.
I have processed data in HKL2000 for one of my crystal and I got
unique sol in space group
P212121. with LLG 131 and TFZ score 13.5
I have used buccaneer and coot for model building and my Rfee came
to 45%.
I used the PDB file from this crystal ( Rfee of 45%) as my MR model
for data obtained from
another crystal and got sol with TFZ score=40.5 and LLG=2305.
I used coot and did a round of refmac refinement now my Rfee is 41%.
My concern is
a) wether my scheme is good or not because I am afraid that this
will increase the model
bias.
b)Now I am stuck at 41% Rfee I have many chain breaks and loop
regions have not good
density. I tried TLS refinement it did not help. what else I shall
try??
Thanks
Manoj
PSU
Biochemistry