[ccp4bb]: NCS with molecular replacement part 2

[Jeff Taylor <JSTaylor@duke.edu>]

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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
topic.

Thanks to all who replied,

Jeff Taylor