Dear Mark,  

Thanks for the clarification.  

Regards 

Kavya 

On 2023-02-05 04:02, Mark J. van Raaij wrote:

> PS it's probably not a salt crystal...TCEP is not a salt, your ligand I 
> presume is also not a salt, a small cleaved peptide neither. As to why 
> previously in a very similar condition you did get your desired protein plus 
> (other) ligand crystal, it just means the molecule (TCEP') crystallises in a 
> similar condition to your protein - I don't think you can conclude much more 
> than that (unless there is some other difference like the TCEP being older 
> this time and more oxidised, for example). 
> 
> Mark J van Raaij
> Dpto de Estructura de Macromoleculas, lab 20B
> Centro Nacional de Biotecnologia - CSIC
> calle Darwin 3
> E-28049 Madrid, Spain 
> tel. +34 91 585 4616 (internal 432092)
> Section Editor Acta Crystallographica F
> https://journals.iucr.org/f/
> 
> On 4 Feb 2023, at 15:48, kavyashreem <[email protected]> wrote: 
> 
> Dear all,  
> 
> Sorry for the confusion created, I did not mean that a protein would have fit 
> in the small unit cell. My question was - 
> 
> 1. Why are there closely spaced spots arising in salt crystal? 
> 
> 2. If TCEP could crystallize in the condition, I have got a protein (same as 
> this)+ligand (different ligand) complex in very close condition. (ligand size 
> is within 500Da). 
> 
> Thank you 
> 
> Kavya 
> 
> On 2023-02-03 14:35, [email protected] wrote: Hi Kavya, 
> 
> Try https://csb.wfu.edu/tools/vmcalc/vm.html  
> 
> This tells you that a 30kD protein simply does not fit the cell. 
> 
> I am pretty sure you crystallised the ligand, or TCEP actually. 
> 
> Also, if you look at the diffractions pattern, its clear the crystal 
> diffracts beyond 1.0A, diffraction spots are really very very very strong at 
> 2.0A. 
> 
> On 3 Feb 2023, at 09:22, kavyashreem <[email protected]> wrote: 
> 
> Dear all, 
> 
> We crystallized a protein (30kDa) + ligand (by cocrystallization), in the 
> condition 10%PEG3350, 50mM Zinc acetate. 
> 
> Protein was in the buffer 20mM HEPES, 150mM NaCl, 1uM ZnCl2, 4mM TCEP, pH 8.  
> 
> Crystal:                             Crystal:                           
> crystal under UV m 
> 
> <b06fc576.png>     <e091c7fd.png>   <8ef9453e.png>
> 
> When we collected the data at an in-house facility, it looked something like 
> this: 
> 
> <b903961d.png> 
> 
> The minimum resolution spot is around 9Ang and maximum ~2.2Ang. 
> 
> I have not come across a protein diffraction like this, nor of a salt. When I 
> ran the gel for the incubated protein (protein+ligand), there was no 
> degradation. 
> 
> Although, I was sure there is some problem with this image I tried 
> processing, which could not be, But indexing showed a unit cell  of 11Ang, 
> 11Ang, 46Ang in P3. which was quite expected for two of the axes but not the 
> third. 
> 
> Can anyone please shed some light on this diffraction image? 
> 
> How can it happen?
> 
> Thank you 
> 
> Regards 
> 
> Kavya
> 
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