Difficult to be sure from a single angle pic but I would suggest Cys oxidation.

There is an important 20 years old paper (see below) on Cys oxidation in a 
tyrosine phosphatase (like yours)

Best
Roberti]


Nature

  *   
<https://pubmed.ncbi.nlm.nih.gov/?term=%22Nature%22%5Bjour%5D&sort=date&sort_order=desc>
  *   
<https://www.ncbi.nlm.nih.gov/nlmcatalog?term=%22Nature%22%5BTitle+Abbreviation%5D>
  *   <https://pubmed.ncbi.nlm.nih.gov/12802339/#>

. 2003 Jun 12;423(6941):773-7.
 doi: 10.1038/nature01681.
Oxidation state of the active-site cysteine in protein tyrosine phosphatase 1B
Rob L M van 
Montfort<https://pubmed.ncbi.nlm.nih.gov/?term=van+Montfort+RL&cauthor_id=12802339>
 1<https://pubmed.ncbi.nlm.nih.gov/12802339/#full-view-affiliation-1>, Miles 
Congreve<https://pubmed.ncbi.nlm.nih.gov/?term=Congreve+M&cauthor_id=12802339>, 
Dominic Tisi<https://pubmed.ncbi.nlm.nih.gov/?term=Tisi+D&cauthor_id=12802339>, 
Robin Carr<https://pubmed.ncbi.nlm.nih.gov/?term=Carr+R&cauthor_id=12802339>, 
Harren Jhoti<https://pubmed.ncbi.nlm.nih.gov/?term=Jhoti+H&cauthor_id=12802339>


Roberto A Steiner
www.steinerlab.org<http://www.steinerlab.org/>
https://twitter.com/steiner_lab

roberto.stei...@kcl.ac.uk<mailto:roberto.stei...@kcl.ac.uk>
Randall Centre for Cell and Molecular Biophysics
Faculty of Life Sciences and Medicine
King's College London
Room 3.10A
New Hunt's House, Guy's Campus
SE1 1UL, London, UK
Phone 0044 20 78488216
Fax    0044 20 78486435

roberto.stei...@unipd.it<mailto:roberto.stei...@unipd.it>
Dipartimento di Scienze Biomediche
Università degli Studi di Padova
Viale G. Colombo 3
35131 Padova, Italia
Telefono 0039 049 8276409

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On 18 Dec 2023, at 18:03, Liliana Margent 
<lmarg...@gradcenter.cuny.edu<mailto:lmarg...@gradcenter.cuny.edu>> wrote:

You don't often get email from 
lmarg...@gradcenter.cuny.edu<mailto:lmarg...@gradcenter.cuny.edu>. Learn why 
this is important<https://aka.ms/LearnAboutSenderIdentification>
Hi there, We’ve been having an issue in trying to clear regions of Fo-Fc 
density from a few cysteines during the refinement process. We were wondering 
if anyone had seen something similar so they could offer some insight on the 
likely chemistry at hand, and a potential refinement solution. Attached are two 
images of the observed extra density at two cysteines, 505 and 518. We have 
modeled acetylated cysteine, s-hydroxycysteine, and s-mercaptocysteine but it 
does not solve the density. The protein in question is a Protein Tyrosine 
Phosphatase known as STEP (PTPN5), with data collected to a resolution of 1.79 
Å. The crystals were grown in bis-tris pH 6.65, 200mM Li2SO4, ~30% PEG3350. Of 
note, prior to data collection the crystal was conserved at room temp for long 
time where it dried, and was subsequently rehydrated with mother liquor. Thank 
you so much.
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