Re: [ccp4bb] Phaser TFZ=100.0 ?

2007-03-12 Thread Randy J. Read
On Mar 12 2007, Andy Purkiss wrote: Quoting Andrew Wong <[EMAIL PROTECTED]>: I was using Phaser for some MR with a data set in P1 (may not actually be P1, but..), and in every run I always got a list of "solutions" that all have TFZ=100.0, with a very small LLG (around 0 or even in the negat

[ccp4bb] The X6A workbench is back!

2007-03-12 Thread Stojanoff, Vivian
The X6A workbench: Advanced structural biology tools April 10-13, 2007 is a hands on course for those interested in experiencing synchrotron data collection. Participants will learn about synchrotron hardware, crystals, data collection strategies and how to obtain an electron density map.

Re: [ccp4bb] surface drawings

2007-03-12 Thread Maneesh Yadav
When I've wanted to show an internal cavity I've found the best route is: pdb file->voidoo->mapman->ccp4 map->pymol (play with your probe size in voidoo to prevent thr probe from "rolling out" of your cavity) You can load the ccp4 formatted cavity maps into xfit/coot, you get your volume meas

Re: [ccp4bb] surface drawings

2007-03-12 Thread James Whisstock
Hiya In PYMOL, you could use the selection feature to select which residues you want to draw surface over (there are some pretty powerful selection syntaxes in this package so could could select your actve site residues in a number of ways - see http://pymol.sourceforge.net/) - then create surf

Re: [ccp4bb] superpose

2007-03-12 Thread Douglas L. Theobald
Hi Juan, This doesn't directly apply to Superpose -- but THESEUS (which does both conventional least-squares and maximum likelihood superpositions) puts RMSD values by default in the B-factor column of the PDB of the mean structure for a superposition. It is undocumented, but via the THE

[ccp4bb] superpose

2007-03-12 Thread Juan Sanchez-Weatherby (UEA)
Dear all I have three questions that might have been answered before but I haven't been able to find them. 1) I was wondering whether anyone could tell me what does (in the Superpose output) "RMS B DISPLACEMENT" stand for? 2) If "B" is B-factor how meaningful is it if the haven't been n

[ccp4bb] surface drawings

2007-03-12 Thread Green, Todd
Hello All, I would like to make an illustration which has a semi-transparent surface rendering for a large cavity. I just want the suface to cover the cavity not the entire protein (which will most likely exist as a ribbon drawing). Is there a way to set a boundary for a surface drawing? By tha

Re: [ccp4bb] Removal of bacterial Hsp70 contaminant from recombinant protein

2007-03-12 Thread Yong Tang
Deal all, thank you for all the wonderful helping tips. A quick test of ATP-Mg at 2mM at 37C for 2 hours had proved ineffective in my case so now I'm thinking of trying the other protocols that you had offered as listed below. Many thanks and have a wonderful week! -yong Original Question RE: Rem

[ccp4bb] Senior Cell Biologist Position at Dundee University

2007-03-12 Thread Charles Ballard
MRC PROTEIN PHOSPHORYLATION UNIT COLLEGE OF LIFE SCIENCES UNIVERSITYOF DUNDEE, SCOTLAND PROGRAMME LEADER, CELL BIOLOGIST WITH X-RAY CRYSTALLOGRAPHIC EXPERTISE The Unit is seeking to recruit a cell biologist with X-ray crystallographic expertise who will develop a structurally-based pro

Re: [ccp4bb] Phaser TFZ=100.0 ?

2007-03-12 Thread Andy Purkiss
Quoting Andrew Wong <[EMAIL PROTECTED]>: > I was using Phaser for some MR with a data set in P1 (may not actually be > P1, but..), and in every run I always got a list of "solutions" that all > have TFZ=100.0, with a very small LLG (around 0 or even in the negative). > The RFZ is like 4 or less