Re: [ccp4bb] Best protocols to advance a low resolution twinned MR map

2020-09-13 Thread Jon Cooper
Hello, a couple of thoughts. If your best dataset has a twinning fraction of 40% (i.e. almost 50:50 ;-?) and the twin operator corresponds to a 2-fold rotation parallel to the z-axis, is it definitely trigonal, rather than hexagonal? The 2-fold NCS operator that you found for the d3 domains, is

Re: [ccp4bb] Best protocols to advance a low resolution twinned MR map

2020-09-08 Thread Eleanor Dodson
Hmmm - not much help, but MR can work with twinned data .. What's the sequence match between your models and your protein? And do you expect them to form a dimer? Presumably you found the d3:d3 dimer using MR? I would be a bit worried that the twinning could mislead a dimer search - are the two d3

[ccp4bb] Best protocols to advance a low resolution twinned MR map

2020-09-08 Thread Andrew Lovering
Dear all, I've a project with two historical datasets (i.e. not sure of when/if I can reproduce to solve problem by getting better data) that are twinned. The spacegroup is P32, with operator -h, -k, l cell = 83.5 83.5 64.2 90 90 120 protein has three domains d1-d2-d3, likely 50% solvent, 2