Re: [ccp4bb] Alignment software

2010-05-23 Thread Victor Alves
Hi Mohd You can also check: ALINE (An Extensible WYSIWYG Protein Sequence Alignment Editor for Publication Quality Figures) http://crystal.bcs.uwa.edu.au/px/charlie/software/aline/ It's quite nice and has a lot of potential, although unfortunately it seems that development of the software as

Re: [ccp4bb] Fwd: calculate the real space R factor using OVERLAPMAP

2010-05-23 Thread Ian Tickle
On Sun, May 23, 2010 at 5:24 AM, Pavel Afonine pafon...@lbl.gov wrote: Hi, On 5/22/10 8:23 PM, Zhang, Hailiang wrote: Thanks a lot! Actually my map has very weak density at only certain region, and I want to numerically say that this region is weakly correlated to the atomic map at this

Re: [ccp4bb] Alignment software

2010-05-23 Thread Murray, James W
I’m trying to prepare an alignment figure of 2 proteins that highlight conserved and similar residues and probably secondary structures; I will greatly appreciate it if anybody can recommend a software that I can use. Thanks, Mohd For those who like TeX, TeXshade is incredibly powerful, and

[ccp4bb] [Fwd: Is it possible for the Tris buffer to strip the Zn ions from the Zinc Finger motif of a protein?]

2010-05-23 Thread Maia Cherney
Original Message Subject: Is it possible for the Tris buffer to strip the Zn ions from the Zinc Finger motif of a protein? Date: Sun, 23 May 2010 08:45:55 -0600 From: Maia Cherney ch...@ualberta.ca To: ruheng rh_ibp2...@hotmail.com The complex can dissociate

[ccp4bb] Finding best model for molecular replacement

2010-05-23 Thread Paul Lindblom
Hi everybody, I just crystallized a new project protein. How can I find a possible model for using molecular replacement? I have the sequence of my protein. Is it enough to make a sequence search in the pdb? Or is there another approach I can use? Thanks a lot, Paul

Re: [ccp4bb] Finding best model for molecular replacement

2010-05-23 Thread Miri Hirshberg
Sun., May 23rd 2010 EBI Paul, 1. yes you can run your sequence against all PDB. 1. http://www.ebi.ac.uk/pdbe-srv/view/ drop the one letter sequence in the sequence box and search 2. http://www.ebi.ac.uk/Tools/fasta33/index.html From the Databases protein you pick Protein structure Sequence

Re: [ccp4bb] Finding best model for molecular replacement

2010-05-23 Thread Jürgen Bosch
XtalPred http://ffas.burnham.org/XtalPred-cgi/xtal.pl or if you have data already let Balbes do the job. Jürgen On May 23, 2010, at 3:34 PM, Miri Hirshberg wrote: Sun., May 23rd 2010 EBI Paul, 1. yes you can run your sequence against all PDB. 1. http://www.ebi.ac.uk/pdbe-srv/view/

Re: [ccp4bb] Finding best model for molecular replacement

2010-05-23 Thread Joyce, Gordon M. (NIH/NIAID) [F]
I recently used an ensemble of many proteins with Phaser. A single model did not find a solution but this ensemble of seven very similar molecules gave a correct solution with a TFZ of ~9.0. I did not trim the side chains in this ensemble (first try worked) but this introduced variation may be

Re: [ccp4bb] Finding best model for molecular replacement

2010-05-23 Thread David Briggs
I'll add another molecular replacement anecdote to the growing list: I like to generate some models using the Phyre server ( http://www.sbg.bio.ic.ac.uk/~phyre/ ) Feed the best .pdbs into Mr Bump. Go and get coffee. Come back and find a solution with post-refmac R/Rfree in the mid-30s. IMHO,

Re: [ccp4bb] Finding best model for molecular replacement

2010-05-23 Thread Maia Cherney
Try balbes. It needs only your sequence and your mtz file. http://www.ysbl.york.ac.uk/~fei/balbes/ Maia Paul Lindblom wrote: Hi everybody, I just crystallized a new project protein. How can I find a possible model for using molecular replacement? I have the sequence of my protein. Is it

Re: [ccp4bb] Finding best model for molecular replacement

2010-05-23 Thread Nathaniel Echols
On Sun, May 23, 2010 at 12:57 PM, David Briggs drdavidcbri...@gmail.comwrote: I like to generate some models using the Phyre server ( http://www.sbg.bio.ic.ac.uk/~phyre/ ) Feed the best .pdbs into Mr Bump. Go and get coffee. Come back and find a solution with post-refmac R/Rfree in the

Re: [ccp4bb] Finding best model for molecular replacement

2010-05-23 Thread Paul Lindblom
Thank you all for your quick answers. I already tried the phyre server but could not find a appropriate model. Balbes found a structure with 29% identity, but no solution. Now I am running molrep with the model balbes found... 2010/5/23 Nathaniel Echols nathaniel.ech...@gmail.com On Sun, May

Re: [ccp4bb] Finding best model for molecular replacement

2010-05-23 Thread Jürgen Bosch
unambiguous space group ? Jürgen On May 23, 2010, at 4:52 PM, Paul Lindblom wrote: Thank you all for your quick answers. I already tried the phyre server but could not find a appropriate model. Balbes found a structure with 29% identity, but no solution. Now I am running molrep with the

[ccp4bb] Low Ionic Strength Screen™

2010-05-23 Thread shixiong lua
Hi crytallographers ! I am attempting to use the Low Ionic Strength Screen™ from Hampton Research. I realised that the kit recommended a 4ul Sample to 7ul screen drop. Has anyone reduced this amount for hanging drop? for example 1ul sample to 1ul screen ? or 1ul sample to 1.75ul screen? Any

Re: [ccp4bb] [Fwd: Is it possible for the Tris buffer to strip the Zn ions from the Zinc Finger motif of a protein?]

2010-05-23 Thread atul kumar
sometimes change in ph also dissocaites the complex,so you need to screen best buffer ph for your protein complex. atul kumar On Sun, May 23, 2010 at 8:18 PM, Maia Cherney ch...@ualberta.ca wrote: Original Message Subject:Is it possible for the Tris buffer to strip