[ccp4bb] CCP4 Study Weekend: From Crystal to Structure with CCP4

We cordially invite you to participate in this year's Study Weekend at the East Midlands Conference Centre, University of Nottingham. The annual CCP4 Study Weekend is a chance to shake off the post-New Year torpor, and work hard and play hard with your fellow crystallographers. Once again,

[ccp4bb] Low Bfactor values for waters after TLS

Greetings CCP4-ers, I have been running some TLS refinement which does wonders for my R/Rfree values, but seems to give some spurious Bfactors/ADPs for the waters, e.g. B= 2. These low Bfactors appear relatively consistent with the residual protein B-factors (i.e. the pdb output from REFMAC),

Re: [ccp4bb] Low Bfactor values for waters after TLS

Hi Alasdair On 11 Sep 2009, at 09:46, Alasdair K. Mackenzie wrote: Greetings CCP4-ers, I have been running some TLS refinement which does wonders for my R/ Rfree values, but seems to give some spurious Bfactors/ADPs for the waters, e.g. B= 2. These low Bfactors appear relatively

Re: [ccp4bb] Off topic: Purification steps

Limitless suggestions, but as you are about to embark on TEV digestion, one thing you can do is do this within a dialysis tube and 1:20 and dialyse for the magic period (overnight) to get rid of the imidazole, then follow this with an IMAC step to remove uncleaved protein and the TEV. Remember to

Re: [ccp4bb] stabilizing solution

Hi, in this paper http://journals.iucr.org/d/issues/1999/05/00/gr0904/gr0904.pdf they seemed to use the protein solution as a stabilising solution. Seems like a good idea as you are not diluting your concentrations too much in that case. cheers charlie Dear CCP4bbers, Please comment on

[ccp4bb] September 15th - registration deadline for PSI users meeting j...@p 09 (SLS)

Dear SLS users, I would like to draw your attention to the Joint User Meeting at PSI (j...@p '09). Please remember the approaching deadline (*** September 15 ***) for registration and submission of poster abstracts for the first Joint Users' Meeting (j...@p '09) of the PSI user facilities SLS,

[ccp4bb] Alternative conformation in Mac Refmac5

Hi all, I have updated lately to ccp4-6.1.2. I have Macintosh. Now I have problem with alternative conformations. After Refmac5 run all alternative conformation atoms are fully unordered without any chemical restraints. If I put same pdb to Windows Refmac5.5.0102 there is no any problems

Re: [ccp4bb] Alternative conformation in Mac Refmac5

Hi Heidi, I have noticed the same thing. Went back to Refmac v93 (mac version) and side-chains stopped flying. Needs a fix. Best Roberto On 11 Sep 2009, at 10:59, Heidi Tuominen wrote: Hi all, I have updated lately to ccp4-6.1.2. I have Macintosh. Now I have problem with alternative

[ccp4bb] Peg3350 model

Hi All I have some density and I can fit a peg molecule in their. I am confused and when I search database for peg3350, I have no hit. How can I build a model for Peg 3350. I found some PDB's with peg; but they they have used peg400; Is there any difference in the model between peg3350 and

[ccp4bb] Pernament Beamline Scientist position at Synchrotron SOLEIL

Dear Fellow Crystallographers, There is a permanent scientific position opening on the PROXIMA 2 beamline at Synchrotron SOLEIL (see below). We are looking for candidates with a background post-doctoral experience in macromolecular crystallography and instrumentation. Please note the

[ccp4bb] Molecular replacement with merohedarlly twinned data

Dear all, when searching in Molecular Replacement against say perfectly merohedrally twinned data (i.e. an alpha=0.5 twin) do I understand it right that I should expect two sets of solutions that are equivalent under the twin operator (bar xtal symmetry and/or origin shifts)?

[ccp4bb] configure.def not copied over with in-place update of ccp4

Hi I just updated my ccp4 to 6.1.2 ( the August 13th 2009 release) and thought I would pass on this feedback. I used the source version and the built in install.sh script which worked very well on ubuntu Linux 654 bit ( Hardy Heron) However after the update the new ccp4i gui had lost the

[ccp4bb] BM14 beamtime for the period November - December 2009

Dear all, the period of November - December 2009 is opened for proposal submissions for beamtime at the BM14 MAD MX Beamline (ESRF, Grenoble, France) . Thank you to submit your proposal on-line http://www.bm14.eu (“Apply for Beamtime”). We provide funding for EU-member and

Re: [ccp4bb] Molecular replacement with merohedarlly twinned data

Yes, but if the twin fraction deviates even slightly from 1/2, you may only get one solution from the search. If you want, you can generate the other one and see how happy the program is. Regards, Randy On 11 Sep 2009, at 15:12, Pietro Roversi wrote: Dear all, when

[ccp4bb] Announcement: Beta test of software for picking compounds for binding analysis

The SDsearch application is intended to allow crystallographers and other structure analysts quickly find analogs of known ligands or build small fragment/scaffold libraries without incurring the cost or requiring the technical resources needed to establish commercial database software. For