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[ccp4bb]: NCS with molecular replacement part 2
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Wow, thanks for all the replies.
To begin at the beginning, I'm not 100% of the space group (this is my first
crystal so I'm not 100% sure of anything). I may have the space group wrong,
but I'm fairly certain that it's not hexagonal, like the other one. Here are
the most likely possibilities from the auto indexing:
primitive rhombohedral 1.70% 191.58 202.34 193.15 57.72 57.97 58.49
195.69 195.69 195.69 58.06 58.06 58.06
189.57 189.57 486.27 90.00 90.00 120.00
I centred tetragonal 1.97% 191.58 191.05 277.38 86.75 93.43 90.99
191.32 191.32 277.38 90.00 90.00 90.00
I centred orthorhombic 0.39% 186.45 202.34 268.20 89.80 90.01 89.06
186.45 202.34 268.20 90.00 90.00 90.00
C centred monoclinic 0.08% 272.90 268.20 186.45 89.99 132.15 90.16
272.90 268.20 186.45 90.00 132.15 90.00
primitive triclinic 0.00% 186.45 191.05 191.58 89.01 61.43 61.37
I'd love to find out that it's tetragonal or rhombohedral, but I've never been
able to get the data to process in either of those space groups.
The I centered orthorhombic is tempting, and a step in the right direction, but
no go with processing in this space group either.
Everything processes just fine in C2.
I ran the data through Yeates's twinning server and it is not twinned.
Many people suggested Liang Tong's Glrf program. I have been working with this
program (it is what I used for the self rotations) and I like it a lot. No good
solutions yet, however. I also have epmr banging away with an equal lack of
success, so far. The big cell makes everything run slowly, so it takes awhile
to thoroughly test each approach.
I guess I just needed a sanity check to be sure I wasn't missing something that
should be obvious. Of course, I'd be excited to hear any other ideas on this
Thanks to all who replied,