Hello,
If the data are being collected at cryogenic temperatures and no inhibitor has
been included in the cryoprotectant, perhaps the inhibitor would diffuse out of
the active site?
Ping
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T z u - P i n g K o < kotp...@gate.sin
Dear CCP4BB users:
Thanks to Dr. Murshudov's instructions, I can now tie the waters to their
original positions. There are 230 water mols in my model. I did:
1. make a file (eg harmonic.key) that says:
external harmonic residues from 1 X to 230 X sigma 0.2
2. select harmonic.key in the "include
Dear CCP4BB users:
I have recently switched to use REFMAC5 instead of CNS in the final
refinement of a structure. The TLS method gave much better R/Rfree
values than did CNS (17/22 vs 25/28 at 2A).
In CNS there is a harmonic term to tether some specified atoms to
their original positions. I use t
