Re: [ccp4bb] DM NCS averaging question

Thanks. I will try the comprehensive script. Originally I just wanted to see what happens if I do NCS averaging only without solvent flattening or histogram match, to see whether all NCS units are the same. Anyway, it is always better to use more of them. Also thanks for pointing out that the REFI

Re: [ccp4bb] DM NCS averaging question

Regarding your script: change a couple of things: MODE HIST SOLV MULT AVER COMBINE PERT SCHEME RES FROM 3.0 (or from where you have FOM >70%, as your low res phases will be more reliable) NCYCLE 50 (since you have 12 molecules you should get a significant benefit from averaging. Then the firs

[ccp4bb] DM NCS averaging question

Hi, I am using the following DM script to perform a NCS averaging. I have a fundemental question: after NCS averaging, are the density distrubitions of different NCS unit being averaged supposed to be the same? I found they are different by checking FCDM/PHICDM, and maybe I am wrong somewhere...

Re: [ccp4bb] Problem with getting protein-inhibitor complex structure

Hi Xiaopeng, In addition to what has been suggested: Make sure to understand that your 'inhibitors' are really inhibitors and not just general destabilizers of proteins. A binding assay like ITC or Thermofluor like assay is useful to establish that your inhibitors are actually binding to the prot

Re: [ccp4bb] Zalman monitor

Hi David, The M215W is on stock at http://www.alternate.de/html/solrSearch/toArticle.html?articleId=151410&query=zalman+3d&referer=topseller&link=solr%2Fsearch%2Fresult.productDetails That's a German company but I suppose they also deliver overseas. We've got about 7 of their predecessors in our

[ccp4bb] Zalman monitor

Hi all, I'm sorry, I know this has been extensively discussed, but does anybody know right now where one can buy a zalman monitor (either the 22" or 24", or whatever sizes they are). I am a crystallographer at an Undergrad only university, and it appeals to me that passive stereo devices exist for

Re: [ccp4bb] Oxford diff. saphire CCD images in mosflm?

As Harry said, imosflm or ipmosflm recognize and load the .img files directly, but it would be nice to have the setup files automatically generated. I have Crysalis pro 171.32.5 - will this generate the setup files, or do I need to upgrade? Ed leigh.r...@agilent.com wrote: Hi Ed, One of my app

Re: [ccp4bb] Problem with getting protein-inhibitor complex structure

If the solubility is a problem, you can start out with a low concentrated but soluble solution of your inhibitor in a diluted protein sample. Then concentrate up your protein to the desired amount in the presence of the inhibitor, set up trays and be happy. Additionally you could add more inhibi

Re: [ccp4bb] Your Ccp4 question

- Jürgen Bosch Johns Hopkins Bloomberg School of Public Health Department of Biochemistry & Molecular Biology Johns Hopkins Malaria Research Institute 615 North Wolfe Street, W8708 Baltimore, MD 21205 Phone: +1-410-614-4742 Lab: +1-410-614-4894 Fax: +1-410-955-3655 http://web.mac.com/bos

Re: [ccp4bb] Problem with getting protein-inhibitor complex structure

Some inhibitors have bad solubility but low Ki (less then 1 uM), we keep inhibitors solid in the soaking drops and don't know the exact concentration. For inhibitors with good solubility, we keep the ration at 10 or higher, unfortunately, Ki of these inhibitors are not good, for example, around

Re: [ccp4bb] Your Ccp4 question

1. Does the packing of crystal lattice allow binding of inhibitor? There are several structures of this enzyme and inhibitors published, our crystal crystallized in different conditions but the SG are similiar, let's say, P4(3) or P4(2), P2 or P1. 2. Is the inhibitor sensitive to radiation?

Re: [ccp4bb] Problem with getting protein-inhibitor complex structure

What concentration/ratio of your inhibitor did you use ? Also check this out: (short soaks, see time course experiment) Bosch et al. Using fragment cocktail crystallography to assist inhibitor design of Trypanosoma brucei nucleoside 2-deoxyribosyltransferase. J Med Chem (2006) vol. 49 (20) pp. 5

Re: [ccp4bb] Problem with getting protein-inhibitor complex structure

Hello, If the data are being collected at cryogenic temperatures and no inhibitor has been included in the cryoprotectant, perhaps the inhibitor would diffuse out of the active site? Ping + T z u - P i n g K o < kotp...@gate.sin

Re: [ccp4bb] ? steps after detwinning

Seema Nath wrote: my crystals have 0.401 alpha-twinning fraction,which on detwinning reduced to 0.22 & also pseudo-translation ~48.5,the resolution is poor,3.7 angstorm,please suggest next step after detwinning thanks in advance .. Sorry to be flippant, but you would probably be best spendin

[ccp4bb] ? steps after detwinning

my crystals have 0.401 alpha-twinning fraction,which on detwinning reduced to 0.22 & also pseudo-translation ~48.5,the resolution is poor,3.7 angstorm,please suggest next step after detwinning thanks in advance ..