[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

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] 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:

[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

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

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

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

[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