Re: [ccp4bb] Zinc or Iron binding protein, that is a question!

2009-08-08 Thread Guenter Fritz
Hi Jack, just a famous example: The LIM region of a presumptive Caenorhabditis elegans transcription factor is an iron-sulfur- and zinc-containing metallodomain. Li PM, Reichert J, Freyd G, Horvitz HR, Walsh CT. Proc Natl Acad Sci U S A. 1991 Oct 15;88(20):9210-3. and Cysteine-rich LIM domai

[ccp4bb] pseudo-translational symmetry

2009-08-08 Thread Romano, Keith
Hi all, I am trying to refine a structure to about 2.0A. Indexing in HKL2000 indicates the protein crystallized in P2 with unit cell lengths (a1=67.5, b1=58.8, c1=98.9) and angles (alpha1=90, beta1=101.5, gamma1=90). Molecular replacement with Phaser yields a solution in P1 21 1 with four mol

Re: [ccp4bb] how to generate the figure of buried surface area

2009-08-08 Thread Warren DeLano
Jiamu, That is a question for pymol-users, not ccp4bb: http://sourceforge.net/mail/?group_id=4546 Cheers, Warren PS. here's one answer: # create the objects load $TUT/1hpv.pdb create side1, chain A create side2, chain B dele 1hpv # splay apart the interface show surface, side1 within 5

Re: [ccp4bb] cryoEM maps out of scale for docking experiments

2009-08-08 Thread Christoph Best
Filip Van Petegem writes: > While trying to perform some docking experiments with crystal structures into > cryoEM maps, I found that some deposited EM maps are not at the right size > relative to crystal structure coordinates (e.g. a ccp4 formatted deposited EM > map looks smaller than a crystal

Re: [ccp4bb] cryoEM maps out of scale for docking experiments

2009-08-08 Thread Paul Emsley
Filip Van Petegem wrote: While trying to perform some docking experiments with crystal structures into cryoEM maps, I found that some deposited EM maps are not at the right size relative to crystal structure coordinates. The problem is independent of the graphics program used (e.g. VMD, chime