[phenixbb] best strategy using two datasets?

Thomas C. Terwilliger terwilliger at lanl.gov
Tue Oct 5 08:56:47 PDT 2010

Hi Manoj,
I think what you did is just fine.  Once you have a model with an Rfree in
the range of yours, the experimental data (MAD/SAD) has little to add to
it.  Your cell dimensions are similar but not the same, so merging
datasets would introduce more error than it would reduce.
There are frequently advantages to using a hires native dataset together
with a lower-res SAD/MAD dataset, even if they are not identical, in the
early stages of structure determination.
All the best,
Tom T

>> Hi ,
>> I have data 2.4 A for a protein ( Se-Met derivative) unit cell dimensions.
>> 53.098,60.207,142.382.
>> I have used this data to solve the partial structure with phenix.autosol
>> and
>> phenix.autobuild. The model from this data was then used as MR model in
>> phaser with another data set from a crystal at 2.2 A   (group P212121 )
>> .unit cell dimensions are 53.86,61.47,142.49.
>> Currently my R free is 23%.
>> My question is
>> 1) Is there a a better way to use the two datasets.
>> can I merge the reflection files from two datasets and does using a merged
>> reflection file have an advantage over the strategy  I used.
>> 2) Although not directly related to phenix  I was wondering can we use the
>> merged reflection file for PDB depositions?
>> Thanks . I will greatly appreciate any suggestions and guidance in this
>> regard
>> Manoj
>> _______________________________________________
>> phenixbb mailing list
>> phenixbb at phenix-online.org
>> http://phenix-online.org/mailman/listinfo/phenixbb

More information about the phenixbb mailing list