Re: [ccp4bb] Difficult experimental phasing

2018-05-01 Thread PD Dr. Günter Fritz
Dear Abris, if you have a partial MolRep solution and  SAD data you might try to combine both with phaser. There is an example script here how to combine the model and SAD data to determine and refine the heavy atom substructure:

Re: [ccp4bb] Difficult experimental phasing

2018-04-30 Thread Diana Tomchick
Estimating isomorphism by eyeballing the difference in unit cell lengths may mask significant non-isomorphism that is present. Iodine is a large atom and it is notoriously difficult to get an iodine derivative that is isomorphous to a native protein. Depending upon the chemistry of your mother

[ccp4bb] Difficult experimental phasing

2018-04-30 Thread Abris Bendes
Dear all, I’m trying to solve the structure of a putative homodimer, but despite having collected good quality data, it has proven to be rather difficult. I have collected native and derivative datasets (2.2-4Å, C2 SG, 165/35/115Å//104° unit cell) with acceptable merging statistics. Xtriage,