Re: [ccp4bb] change in unit cell volume

2019-03-11 Thread Clemens Vonrhein
On Thu, Mar 07, 2019 at 02:32:53PM -0600, Murpholino Peligro wrote: > Let's say I have a protein crystal from which I collected 30 datasets. If I > plot the unit cell volume per dataset the volume rises. You also have to be sure that (1) there is no significant energy drift during those

Re: [ccp4bb] change in unit cell volume

2019-03-08 Thread Elspeth Garman
Of Edward Snell Sent: 07 March 2019 20:56 To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] change in unit cell volume Hi Murpholino, I’ve looked at this with respect to metals in the protein and found that it was very informative to compare fractional coordinates which compensate for the volume

Re: [ccp4bb] change in unit cell volume

2019-03-07 Thread Rosenbaum, Gerold
CCP4BB@JISCMAIL.AC.UK<mailto:CCP4BB@JISCMAIL.AC.UK> Subject: [ccp4bb] change in unit cell volume Let's say I have a protein crystal from which I collected 30 datasets. If I plot the unit cell volume per dataset the volume rises. My question is: Is there a rule of thumb of some sort* to consider

Re: [ccp4bb] change in unit cell volume

2019-03-07 Thread Edward Snell
Of Murpholino Peligro Sent: Thursday, March 7, 2019 3:33 PM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] change in unit cell volume Let's say I have a protein crystal from which I collected 30 datasets. If I plot the unit cell volume per dataset the volume rises. My question is: Is there a rule of thumb

[ccp4bb] change in unit cell volume

2019-03-07 Thread Murpholino Peligro
Let's say I have a protein crystal from which I collected 30 datasets. If I plot the unit cell volume per dataset the volume rises. My question is: Is there a rule of thumb of some sort* to consider the initial/final datasets isomorphous still? * Something like if the unit cell volume changes