Re: [ccp4bb] Off topic: Beryllium chloride

2011-10-03 Thread Partha Chakrabarti
Hi Peter, Both BeF3(-) and AlF4(-) need to be made fresh, or used from frozen. It should not be stored at room temperature. While using, you may wish to keep it on ice. If you are using Vanadate, that should be fresh (Methods in Enzymology). Also kindly note that unlike AlF4(-), which is a single

[ccp4bb] Off topic: Beryllium chloride

2011-10-03 Thread Peter Hsu
Sorry for the very off topic and dumb question, but does anyone know if BeCl2 needs to be prepared fresh for use (making BeF3) or can it be stored as a solution stock at room temperature/frozen? Thanks, Peter

[ccp4bb] Calculate real-space R-factor/corr coeff for ligand

2011-10-03 Thread Brigitte Ziervogel
Hi, I am trying to calculate real-space R-factors and correlation coefficients for an array of different ligand conformations to find out which fits best in experimental density. So far, I have been trying to use Overlapmap in CCP4 6.1.2 to do this, by correlating maps by residue and selecting

Re: [ccp4bb] Bicarb at low pH

2011-10-03 Thread Mathews, Irimpan I.
Hi Jacob, Once I had an issue with introuding CO2 into crystals and I was able to get it bound by putting a small piece of dry ice into the well solution and keeping the drop under CO2 pressure using nextal trays with screw cap. Please note in this case CO2 didn't get bound by using pressure c

Re: [ccp4bb] Bicarb at low pH

2011-10-03 Thread Ed Pozharski
On Sun, 2011-10-02 at 15:56 -0500, Jacob Keller wrote: > Transfer them to higher pH, and hope > for the best? Consider crosslinking your crystals with glutaraldehyde. They will then became virtually insoluble, although it's possible that you may lose diffraction at elevated pH. -- "Hurry up b

Re: [ccp4bb] Anomalous patterson not consistent with systematic extinctions

2011-10-03 Thread Jacob Keller
Why not just go to P1, then build up the symmetry? Is completeness low? JPK On Mon, Oct 3, 2011 at 10:14 AM, Eleanor Dodson wrote: > Further Qs. > > Do you have a noncryst translation parallel to the b axis (ctruncate will > list any such translation..) > > If the b shift is 0.5 then the 0k0 "ab

Re: [ccp4bb] Anomalous patterson not consistent with systematic extinctions

2011-10-03 Thread Eleanor Dodson
Further Qs. Do you have a noncryst translation parallel to the b axis (ctruncate will list any such translation..) If the b shift is 0.5 then the 0k0 "absences" will be present whether the spacegroup is P2 or P21. How many Xe sites do you expect? If there is only one then phasing is more d

Re: [ccp4bb] Bicarb at low pH

2011-10-03 Thread Richard Gillilan
Hi Jacob, high-pressure cryocrystallography methods may be useful in this case. I copied your question to Chae Un Kim here at MacCHESS and he forwards this suggestion: -- Hi Richard, I think pressure cryocooling might be useful. They may want to check th

Re: [ccp4bb] Bicarb at low pH

2011-10-03 Thread David Schuller
On 10/02/11 16:56, Jacob Keller wrote: Dear Crystallographers, I would like to soak my crystals in bicarbonate (a possible substrate), but the crystals have grown--and only grow--in pH 5.2-6.0, so the bicarb/CO2 will just keep evolving out of the solution and reliquishing its hydroxyls until the