Hi Intekhab,

thanks for sending the files.

Your log file shows you are refining at 2.7A resolution and the R-factors are 24/26% (which is not bad!), and the parameters you use are

main {
    fix_rotamers = True
    simulated_annealing_torsion = True
    number_of_macro_cycles = 5
    max_number_of_resolution_bins = 10
    use_experimental_phases = False
}
.

Try this instead:

main {
    number_of_macro_cycles = 5
    ordered_solvent=true
}
ordered_solvent {
    mode = *every_macro_cycle
}

Does phenix.model_vs_data confirms the need to use twin-target:

phenix.model_vs_data model.pdb data.mtz

?

Pavel.

On 8/19/10 12:05 AM, intekhab alam wrote:

Hi

I am working with a twinned data set having R32 space group. when i tried to refine with phenix refine using the twin option it got stuck after some time.

There is no error message showing up and the refinemnet donot progresses further. I have used the twin law suggested by Xtriage program in Phenix.

Kindly help me out.

Regards

--
INTEKHAB ALAM
LABORATORY OF STRUCTURAL BIOINFORMATICS
KOREA UNIVERSITY, SEOUL
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