Re: [ccp4bb] How can I find the other molecule in the asymmetric unit?

2013-11-21 Thread Bosch, Juergen
What is the solution to this? Hi Meisam, you have it, it is just three molecules in the asu. Look at the overall crystal lattice packing and see if you have contacts supporting each molecule. Generate a large representation of your symmetry mates, I suspect you have a channel in your crystal lat

Re: [ccp4bb] How can I find the other molecule in the asymmetric unit?

2013-11-21 Thread Mark J van Raaij
half-seriously...old-school method: - apart from the excellent suggestions by Juergen and Phil, you could experimentally determine the density of the crystals and calculate their protein content from that. This looks like a fun method to try: http://journals.iucr.org/j/issues/1999/05/00/wb0070/wb

Re: [ccp4bb] How can I find the other molecule in the asymmetric unit?

2013-11-21 Thread Phil Jeffrey
Meisam: Probabilities are just that: many of us have had structures with large solvent contents that are statistically unlikely. Pedantic quibble: "It scales in P21 Space group with 7% linear Rfactor." really means that it scales in primitive monoclinic with a reasonable Rsymm, and I hope y