Re: [ccp4bb] Data reprocessing

2024-01-26 Thread Matthew Merski
I second Eleanor's suggestions. In fact I would hope the PDB made re-depisitions known to the original authors. I had an incident recently where someone (I believe possibly a student) had used one of my structures for MR but then did the deposition as a re-refinement (because they used it as MR

Re: [ccp4bb] collective term for hydrogen bonds and salt bridges

2018-09-20 Thread Matthew Merski
We should also be aware that there is a formal IUPAC definition of hydrogen bonds as well, although its not really optimized for protein crystallography. https://www.iupac.org/publications/pac/pdf/2011/pdf/8308x1637.pdf Matthew Merski Univ. of Warsaw On Thu, Sep 20, 2018 at 5:28 PM Mark Wilson

Re: [ccp4bb] looking for a link between diffraction resolution and order within the crystal

2017-11-28 Thread Matthew Merski
Hi Alexandre, I was curious if I could also get a copy of the illustrations if it wont be too much trouble? I was more curious about 0.0 - 4.0 Ang region if that saves you some effort. Thank you for this. Matthew Merski On Tue, Nov 28, 2017 at 4:12 PM, Alexandre Ourjoumtsev

Re: [ccp4bb] Interaction of protein's glutamine sidechain nitrogen with a bound ligand's double bond

2017-06-14 Thread Matthew Merski
overloaded) picture of the geometry. Matthew Merski University of Warsaw On Wed, Jun 14, 2017 at 7:23 PM, Evan Waldron <evwaldro...@gmail.com> wrote: > Dear CCP4bb, > >I recently solved the 2.0 Å crystal structure of a small hydrophobic > molecule bound to a protein. A

Re: [ccp4bb] suitable buffer for CD studies

2013-03-20 Thread Matthew Merski
is Data for Biochemical Research by Dawson, Ch. 18). Acetate also shares this invariance but the Good buffers often do not. This is of course a concern with the Spyro Orange experiment as well. Matthew Merski Shoichet Group UCSF

[ccp4bb] unknown ligand density

2010-10-08 Thread Matthew Merski
with that product isn't perfect either as the nitrogen has too many electrons to be in the tertiary center to fit this density. So, has anyone seen or heard or can imagine a way to get an extra atom on acetate? Thanks for any help you can give. Matthew Merski Post-doc Shoichet Group UCSF

[ccp4bb] TEV cleavage problems

2010-05-24 Thread Matthew Merski
as the original proteolytic site, I have been unable to get cleavage despite using a lot of TEV at 37 C, pH 8.0. Has anyone been able to overcome a similar problem? Matthew Merski Post-doctoral researcher UCSF

Re: [ccp4bb] TEV cleavage problems

2010-05-24 Thread Matthew Merski
Ok, to sum up for the board, a good reference for this problem is at: http://mcl1.ncifcrf.gov/waugh_tech/faq/tev.pdf Thanks to everyone who responded. Matthew On Mon, May 24, 2010 at 9:27 AM, Matthew Merski mer...@blur.compbio.ucsf.edu wrote: Hello all, I am working with a protein