Re: [ccp4bb] atomic coloring for the color blind

2013-06-01 Thread David Schuller
How about Braille for those who are blind to all colours? -- === All Things Serve the Beam === David J. Schuller

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/

[ccp4bb] anomalous scattering server down?

2013-06-01 Thread Edward A. Berry
Is Ethan Merritt's anomalous scattering page at: http://www.bmsc.washington.edu/scatter/ down or moved, or the firewall I'm behind is blocking it? I want to check feasibility of a native-iron MAD experiment, and I'm not very good at math. thanks, eab

Re: [ccp4bb] anomalous scattering server down?

2013-06-01 Thread Bosch, Juergen
seems to be down sorry. you should be able to use crossec from ccp4 Jürgen On Jun 1, 2013, at 6:47 PM, Edward A. Berry wrote: Is Ethan Merritt's anomalous scattering page at: http://www.bmsc.washington.edu/scatter/ down or moved, or the firewall I'm behind is blocking it? I want to check

Re: [ccp4bb] anomalous scattering server down?

2013-06-01 Thread Edward A. Berry
Hmm- looks like crosssec calculates F' and F (and cros-section). I guess you're thinking of the x-ray edge page on the same server. Ive got local copies and graphs of that in an excel spreadsheet. I was thinking about the page where you enter your protein's molecular weight, number and type of

Re: [ccp4bb] anomalous scattering server down?

2013-06-01 Thread Mooers, Blaine H.M. (HSC)
Bernhard Rupp has a calculator of Bijvoet ratios: http://www.ruppweb.org/new_comp/anomalous_scattering.htm Blaine Mooers Assistant Professor Director Macromolecular Crystallography Lab Member Stephenson Cancer Center Department of Biochemistry and Molecular Biology University of Oklahoma

Re: [ccp4bb] anomalous scattering server down?

2013-06-01 Thread Edward A. Berry
That's what I wanted. Results are not promising- Bijvoet differences would be less than 2% at peak, and this is not lysozyme. Thanks, all, eab Mooers, Blaine H.M. (HSC) wrote: Bernhard Rupp has a calculator of Bijvoet ratios: http://www.ruppweb.org/new_comp/anomalous_scattering.htm Blaine

Re: [ccp4bb] anomalous scattering server down?

2013-06-01 Thread Jim Pflugrath
How does that compare to something that readily works with Fe, such as horse hemoglobin on a home lab copper X-ray system with 2 Fe in 291 residues in the asymmetric unit? From: CCP4 bulletin board [CCP4BB@JISCMAIL.AC.UK] on behalf of Edward A. Berry

Re: [ccp4bb] anomalous scattering server down?

2013-06-01 Thread Edward A. Berry
Maybe I was a bit hasty- the Hb example gives only 2.4% difference; 2.0 at CuKa, if I'm interpreting the output correctly. Maybe in the F. transform the random noise averages out and the signal rises above. But the Hb xtal probably diffracts really well with R-merge 3 or 4 in the low resolution

Re: [ccp4bb] anomalous scattering server down?

2013-06-01 Thread Ethan Merritt
On Saturday, 01 June 2013, Edward A. Berry wrote: Is Ethan Merritt's anomalous scattering page at: http://www.bmsc.washington.edu/scatter/ down or moved, or the firewall I'm behind is blocking it? The UW, in its infinite wisdom, scheduled a power outage today so that they could replace the

Re: [ccp4bb] anomalous scattering server down?

2013-06-01 Thread James Holton
I put together a little jiffy for feasibility of MAD experiments here: http://bl831.als.lbl.gov/xtalsize.html It does not calculate the f value for you, but in general f is ~4 electrons for K edges and ~10 electrons for L edges. Crossec can give you more accurate values than this as long as

Re: [ccp4bb] anomalous scattering server down?

2013-06-01 Thread Edward A. Berry
Similar result. Taking all defaults except #atoms, amt protein: kDa #res #sites BjvtRatio protein of interest: LBL: 469 12 0.0153 (4 e-) Ruppweb 427312 0.016(edge + 1 ev) Ruppweb 4273

Re: [ccp4bb] anomalous scattering server down?

2013-06-01 Thread James Holton
Not surprising since I'm sure they are both based on the Crick-Magdoff equation (http://dx.doi.org/10.1107/S0365110X56002552) or the very similar Hendrickson-Teeter equation (http://dx.doi.org/10.1038/290107a0). Practically important thing is the signal-to-noise ratio. Roughly speaking, to