Re: [ccp4bb] Regarding the diffraction image

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

Re: [ccp4bb] Regarding the diffraction image

Dear Kavya, 4 mM is quite a high concentration of TCEP, perhaps they are TCEP crystals. You could try a Unit Cell Search of the CCDC to see if you find a match: Unit Cell Search - WebCSD (cam.ac.uk) Best, Thomas Thomas Flower, PhD

Re: [ccp4bb] Regarding the diffraction image

like others mentioned, looks like something in between a salt and a protein, perhaps TCEP, the ligand, a peptide cleaved from your protein by trace protease. If possible, I would move the detector closer, collect an atomic resolution dataset and try to solve the structure by direct methods. You

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Re: [ccp4bb] Regarding the diffraction image

A and B unit cell dimensions are hardly bigger than twice the uni cell of cubic NaCl and will probably not accommodate a 30 kDa protein. Make a SDS gel of washed & dissolved crystals to be sure these are not alt or inhibitor crystals. You can stain the crystals with IzIt... J. -- Dr. math. et

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Re: [ccp4bb] small scale -15C chiller

Hi Tim One last option that's possibly even better, but requires rudimentary electronics: if you find the logic gate that flips from 0 to 1 (or backwards) upon thermocouple triggering below threshold temperature, you can simply supply +5V to the appropriate spot on the PCB, and Bob's your uncle.

Re: [ccp4bb] Regarding the diffraction image

With 50 mM Zn++ in solution, whatever it is will probably have a Zn salt in it. So if you wanted to solve it by direct methods or via SAD - that should do well. Sadly (hur hur) it's probably quite small, whatever it is. Artem - Cosmic Cats approve of this message On Fri, Feb 3, 2023 at 6:20 AM

Re: [ccp4bb] Regarding the diffraction image

Hi Kavya, As others have mentioned, the unit cell is too small to contain your protein. With a volume of ~4820 Ang^3, the unit cell can contain at most ~268 atoms, excluding hydrogens (divide the volume by 18 to get this number). If the symmetry is P3, then the asymmetric unit can only contain

Re: [ccp4bb] small scale -15C chiller

Hi Artem, the detector has four cables connected: a telephone line, a serial line, a printer-type line, and a USB-cable. I suspect it is easier to use the simulator, which I ordered straight away ;-) Best, Tim On Fri, 3 Feb 2023 10:22:39 -0500 Artem Evdokimov wrote: > Hi Tim > > One last

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