[ccp4bb] CONH2 not COOH at TER

2012-08-23 Thread Gloria Borgstahl
How would I tell REFMAC to replace the C-terminal Pro in my synthetic peptide with a CONH2 not the natural CT.

[ccp4bb] Jelly body refinement?

2012-08-23 Thread Nathan Pollock
Dear experts, Could someone explain what it is exactly that jelly body refinement does? I think that I understand it intuitively but want to make sure. In the same vein, what does jelly body refinement sigma parameter control? I.e., in comparison to the default sigma = 0.02, does sigma = 0.1 make

Re: [ccp4bb] Calculating I/sig when sig = 0

2012-08-23 Thread Nat Echols
On Thu, Aug 23, 2012 at 10:44 AM, Jim Pflugrath jim.pflugr...@rigaku.com wrote: Singly-measured reflections should have a sigma from Poisson counting statistics, so that should not be a problem. A problem might occur if the X-ray background is exactly zero and the observed (sic) intensity is

Re: [ccp4bb] Calculating I/sig when sig = 0

2012-08-23 Thread Jacob Keller
Oh, I thought the sigmas were derived from the differences in intensities of the multiple measurements of a given reflection--I guess both the individual-measurement counting stats and differences in measurements must be combined in the end. But, what does the software do if somehow a sigma=0

[ccp4bb] retract Fwd: CONH2 not COOH at TER

2012-08-23 Thread Gloria Borgstahl
I figured it out ATOM 48 C PRO A 11 59.322 -42.497 -19.375 1.00 39.11 C ATOM 49 O PRO A 11 58.425 -42.192 -20.159 1.00 36.42 O HETATM 50 N NH2 A 11 60.520 -42.416 -19.709 1.00 46.31 O TER -- Forwarded message

[ccp4bb] Angle between monomer of a dimer

2012-08-23 Thread Appu kumar
Dear all ccp4 users, I have solved the structure of a protein which is a dimer. On comparison with the other structure from PDB data bank, i found that structure solved by us show a tiltness in monomer-monomer arrangement of a dimer. May you please help me in

Re: [ccp4bb] Jelly body refinement?

2012-08-23 Thread Roger Rowlett
Garib gave a nice description of jelly-body refinement at the ACA meeting. IIRC from his talk, conceptually jelly-body refinment is the equivalent of adding springs between atoms within a certain radius of each other that restrain their movement during refinement. The restraints contribute to

Re: [ccp4bb] Angle between monomer of a dimer

2012-08-23 Thread Nikolina Sekulic
Dear Appu, I had similar issue once. You can use Coot to overlay two structures and get the rotation matrix a1 a2 a3 b1 b2 b3 c1 c2 c3 from here you can calculate cosine of an angle using formula (a1+b2+c3-1)/2 Good luck, Nikolina Sekulic, PhD postdoctoral fellow University of Pennsylvania

Re: [ccp4bb] Jelly body refinement?

2012-08-23 Thread Robert Nicholls
Glad to clarify! Also, note that whilst the springs between atoms analogy is nice for visualisation purposes, and certainly helps to initially explain the concept, it is not technically correct. Certainly, a similar analogy would be appropriate for external restraints and NCS local restraints,

[ccp4bb] d*trek

2012-08-23 Thread jlliu liu
Do anybody know if d*trek can process data collected from APS? Thanks a lot in advance.

Re: [ccp4bb] d*trek

2012-08-23 Thread jlliu liu
My real questions is: Does d*trek recognize the img file format collected at ALS or APS and process the data? Thanks! On Thu, Aug 23, 2012 at 6:00 PM, jlliu liu jlliu20022...@gmail.com wrote: Do anybody know if d*trek can process data collected from APS? Thanks a lot in advance.

[ccp4bb] Job posting: 2 Open positions in the Structural Biology Dept. at Genentech

2012-08-23 Thread Jeremy Murray
We have two open positions in the Structural Biology Department at Genentech. Please submit applications to http://www.gene.com/careers quoting the appropriate job ID number. 1. RA/SRA in Structural Biology Job Description Position available for a Research Associate/Senior Research Associate

Re: [ccp4bb] Angle between monomer of a dimer

2012-08-23 Thread Appu kumar
Sir one more help plz i have the following matrix which one shall i use to calculate the angle. INFO:: coordinates transformed by orthonal matrix: | -0.6927, -0.7191,0.0564| | -0.4828,0.5204,0.7043| | -0.5358,0.4606, -0.7076| ( 76.04,-10.19, 28.64) Rotation

[ccp4bb] LAST CALL TO ADVANCE PROTEIN EXPRESSION AND CHARACTERISATION COURSE IN HELSINKI

2012-08-23 Thread Konstantin Kogan
Dear all, We extended the registration to the course for a week. You are kindly invited to register. Share this information with people that might be interested. The Biocenter Finland Protein crystallisation unit is organising an advanced workshop in protein expression, characterisation