Re: [ccp4bb] Ligand occupancy refinement

2022-03-14 Thread Steven Herron
B-Factors should do the same thing. With a large ligand, I suspect that some of the waters will also have alternate orientations.  You also might look at the amino acids that bind to the ligand to see if there is any alternate conformations. Best Steven Herron On 3/3/2022 8:51 AM, Akanksha T

Re: [ccp4bb] Co crystalization with less soluble ligand.

2021-07-01 Thread Steven Herron
Fatty acids are very soluble in glycerol or the PEGs. Most proteins tolerate high concentrations (30-50%) glycerol and PEGs.� So, it is quite possible to make a solution that will allow the protein crsytal and the ligand to both be in the same solution. One of my former colleagues was in ch

Re: [ccp4bb] Co crystalization with less soluble ligand.

2021-06-22 Thread Steven Herron
hour period of time.  If I went faster, the sulfate would remain in the crystal channels and would precipitate when exposed to calcium.  It was tedious working this out, but it was essential for everything else that came later. Steven Herron [sherron_...@yahoo.com] On 4/23/2021 11:40 PM

Re: [ccp4bb] in crystallo enzymatic activity

2017-04-15 Thread Steven Herron
/pubmed/7893690 http://pubs.acs.org/doi/pdf/10.1021/bi9a007 When lysine-166 is changed to arginine, one side of the reaction pH profile shifts to the basic. If I remember correctly, the mutation causes a 2 pH unit shift of the basic side of the pH reaction profile. Steven Herron sherron_

Re: [ccp4bb] Recommendations for Robotic Crystal Screening Services

2017-04-15 Thread Steven Herron
Does the Hauptman-Woodward Medical Research Institute have any sample data-sets, so we can see what the results look like? On 4/14/2017 8:58 AM, Edward Snell wrote: Dear Elizabeth, The High-Throughput Crystallization Screening Center and the Hauptman-Woodward Medical Research Institute

Re: [ccp4bb] Refining Metal Ion Occupancy

2014-05-06 Thread Steven Herron
sidue orientation and the Ca2+ ion occupancy. Steven Herron sherron_...@yahoo.com On 5/6/2014 11:02 AM, Chris Fage wrote: Hi Everyone, In my 2.5-angstrom structure, there is negative Fo-Fc density surrounding a metal ion after refining in Phenix. From anomalous diffraction I am certain of the me

Re: [ccp4bb] Of topic, trying to identify a reference for multiple crystal data collection

2013-07-19 Thread Steven Herron
Can you scan the page and submit the image to the bb? Besides increasing the chance of identifying the source, I am sure I am not the only one who is curious to see the mystery page. Steven Herron On 7/18/2013 9:29 PM, Edward Snell wrote: Dear All, On a beamline visit I came across a

Re: [ccp4bb] atomic coloring for the color blind

2013-06-01 Thread Steven Herron
David, Do you know of a program to make accurate braille representations of an electron density map :) That would be cool. Maybe in the future [See: http://www.wired.com/wiredscience/2012/08/smart-fingertips-virtual-senses/ http://www.ethlife.ethz.ch/archive_articles/100816_virtuelle_realita

Re: [ccp4bb] Freezing crystal (Liquid Propane Crystal Prep)

2012-02-07 Thread Steven Herron
Jürgen Quote: "Propane for whatever reason has gone extinct in certain areas of the world :-) ." I went to SSRL (Stanford) with a colleague who wanted to use liquid propane. We had to go through a mound of paper work to get permission bring propane on site and set up the experiments. I do

Re: [ccp4bb] X-Ray films

2010-04-15 Thread Steven Herron
The "Race for the Double Helix" (2004) http://www.amazon.com/Race-Double-Helix-VHS-Pigott-Smith/dp/6303247911/ref=sr_1_1?ie=UTF8&s=dvd&qid=1271365899&sr=1-1 When crystallography was on "FILMS" not CCD's:) Eva Kirchner wrote: "favourite movies involving real science" The Dark Crystal (