[ccp4bb] Protein PI calculators

2010-05-31 Thread Lori Horton
Does anyone know of a program that can calculate the theoretical PI of metal-bound proteins? All that I’ve seen are programs that only account for the protein sequence. Any information is helpful. Sorry for the basic non-ccp4 question. LH Lori B. Horton, Predoctoral Fellow Baylor Col

Re: [ccp4bb] Far to good r-factors

2010-05-31 Thread Dale Tronrud
One of the great mysteries of refinement is that a model created using high resolution data will fit a low resolution data set much better than a model created only using the low resolution data. It appears that there are many types of errors that degrade the fit to low resolution data that ca

Re: [ccp4bb] Far to good r-factors

2010-05-31 Thread Pavel Afonine
This reminded me another thing... Did you create the free-R flags considering twinning? This is very important. Pavel. On 5/31/10 12:43 PM, Gregory Bowman wrote: Paul, Does your lower resolution structure have the same unit cell as the model used for MR? If your two crystals are the same ex

Re: [ccp4bb] Far to good r-factors

2010-05-31 Thread Gregory Bowman
Paul, Does your lower resolution structure have the same unit cell as the model used for MR? If your two crystals are the same except for the presence of the ligand, then you need to make sure to keep the same Rfree set for both. Otherwise, some reflections that were previous in the Rwork

Re: [ccp4bb] How to align a sequence to a know profile

2010-05-31 Thread Thomas Juettemann
Dear Yuan, the MUSCLE program can do that for you. It is capable of doing profile-profile and profile-sequence alignments. http://www.drive5.com/muscle/muscle_userguide3.8.html#_Toc260497021 Section 2.10 of the manual should be what you want. Cheers, Thomas On Mon, May 31, 2010 at 01:46, Tim G

[ccp4bb] Postdoctoral Positions in Ion Channel Structure at UCSF

2010-05-31 Thread Dan Minor
POSTDOCTORAL POSITIONS, MINOR LAB UNIVERSITY OF CALIFORNIA SAN FRANCISCO (UCSF) Structure, Function, and Regulation of Ion Channels Postdoctoral positions in Ion Channel Structural Biology are available immediately for highly motivated individuals with a strong interest in integrated approaches

[ccp4bb] How to overcome unusual chi square values

2010-05-31 Thread 조기준
Hello everyone, I collected a x-ray crystal data at around 3-4A resolution and processed with HKL2000. The space group, P6, C2, C222, P2, P1, were possible when indexing. I tried all these space groups. However, when first cycle of scaling without using rejection, chi square values of the lo

[ccp4bb] SLS PX Beamline Proposals: Deadline is approaching!

2010-05-31 Thread Mueller Stefan
Dear Colleagues, Call is open for proposals for the PX (Protein Crystallography) beamlines of the Swiss Light Source, SLS. Deadline for proposal submission: Tuesday, June 15, 2010 (00:00 (midnight)). Submission: All submissions will be handled by the SLS Digital Users Office (DUO) /contact: use

Re: [ccp4bb] How to align a sequence to a know profile

2010-05-31 Thread Tim Gruene
Dear Yuan SHANG, you can use Jalview do create and edit an alignment with your sequence. Jalview is available at http://www.jalview.org/, and I quite liked it when I worked with it. Tim On Mon, May 31, 2010 at 04:29:48PM +0800, 商元 wrote: > Hello, everyone, > I've a protein sequence of known

[ccp4bb] How to align a sequence to a know profile

2010-05-31 Thread 商元
Hello, everyone, I've a protein sequence of known domain. Based on structure alignment, I've got a alignment of those with known structures. Then how to add my sequence to the alignment?Any suggestions? Regards, Yuan SHANG