The self rotation isnt the correct input to the translation function -
just run the Auto-Molrep option..
Eleanor

On Thu, 21 Jul 2011 20:57:02 +0800, Hubing Lou <[log in to unmask]>
wrote:
> I also processed with Imosflm and ran Pointless, it was P21. Also it was
> indicated by the "Intensity systematic absences" in HKL2000 scale.log
file.
> 
> Best,
> Hubing
> 
> On Thu, Jul 21, 2011 at 8:44 PM,
> <[log in to unmask]>wrote:
> 
>> **
>>  Dear Hubing,
>>
>> One maybe stupid question: Your are sure the space group is P21 and not
>> P2
>> or even something else? Did you test other possible space groups?
>> Choosing
>> the wrong space group could exactly lead to the results you observe.
>>
>> Best,
>> Herman
>>
>>
>>  ------------------------------
>> *From:* CCP4 bulletin board [mailto:[log in to unmask]] *On Behalf
Of
>> *Hubing
>> Lou
>> *Sent:* Thursday, July 21, 2011 6:46 AM
>> *To:* [log in to unmask]
>> *Subject:* [ccp4bb] Phaser and Molrep gave different solutions
>>
>> Dear all,
>>
>> I am stuck in a molecular replacement case and looking for advices.
>> I have been working on a protein-DNA complex structure.
>> Data was processed by HKL2000 to 2.6Ang and some of the data statistics
>> are
>> shown below:
>>
>> Space group: P21,
>> Unit Cell: 54.73, 104.91, 78.40, 90, 100.2, 90
>> Redundancy: 2.8 (2.7)
>> Completeness: 94.8 (93.1)
>> Linear R-fac: 0.051 (0.442)
>>
>> Data quality was checked by Phenix.xtriage and there's no problem. I
then
>> prepared a model by Chainsaw. Our protein shares only 30% of sequence
>> similarity with the model, but structurally they are in the same group
>> and
>> almost identical in apo form. Matthrews Coeff indaced two monomers in
>> AU. I
>> then ran Phaser in "automated search" mode and there's a solution with
>> RFZ
>> score 4.8, TFZ score 3.8. The electron density map was not bad with DNA
>> double helix clearly seen. However Refmac5 couldn't get Rfree lower
than
>> 50%.
>>
>> I then changed to MolRep, ran "self rotation function" first then used
>> the
>> first 10 peaks for translation search. Again there's a solution but it
is
>> different from that from Phaser. I attached a picture here. Checking in
>> coot, the packing is the same. But, the refinement couldn't get Rfree
>> lower
>> than 50%.
>>
>> I have tried to include NCS, TLS refinement in Refmac, both not
working.
>> Hope someone out there can help.
>> Thanks very much for your time.
>>
>> Hubing
>>
>>