Re: [ccp4bb] Milch and Minor

2010-10-18 Thread Bernhard Rupp (Hofkristallrat a.D.)
Thanks to all - got a few! -Original Message- From: CCP4 bulletin board [mailto:ccp...@jiscmail.ac.uk] On Behalf Of Bernhard Rupp (Hofkristallrat a.D.) Sent: Monday, October 18, 2010 7:05 PM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] Milch and Minor Dear All, my J Appl Cryst collection

[ccp4bb] JAC (2010), 43,1242-1249

2010-10-18 Thread Jürgen Bosch
Lesenswert ! Worth reading ! http://journals.iucr.org/j/issues/2010/05/02/issconts.html Could somebody send me the pdf from Bayes 1763 ? Jürgen - Jürgen Bosch Johns Hopkins Bloomberg School of Public Health Department of Biochemistry & Molecular Biology Johns Hopkins Malaria Research Institute 61

Re: [ccp4bb] Milch and Minor

2010-10-18 Thread Jürgen Bosch
Only once ? I doubt that :-) - Jürgen Bosch Johns Hopkins Bloomberg School of Public Health Department of Biochemistry & Molecular Biology Johns Hopkins Malaria Research Institute 615 North Wolfe Street, W8708 Baltimore, MD 21205 Phone: +1-410-614-4742 Lab: +1-410-614-4894 Fax: +1-410-955

Re: [ccp4bb] Milch and Minor

2010-10-18 Thread Thomas Juettemann
I certainly did not email it to him! On Mon, Oct 18, 2010 at 19:05, Bernhard Rupp (Hofkristallrat a.D.) wrote: > Dear All, > > my J Appl Cryst collection does not extend far enough to unearth > > J. Appl. Cryst. (1974). 7, 502-505    [ doi:10.1107/S0021889874010284  ] > The indexing of single-cry

[ccp4bb] Milch and Minor

2010-10-18 Thread Bernhard Rupp (Hofkristallrat a.D.)
Dear All, my J Appl Cryst collection does not extend far enough to unearth J. Appl. Cryst. (1974). 7, 502-505[ doi:10.1107/S0021889874010284 ] The indexing of single-crystal X-ray rotation photographs J. R. Milch and T. C. Minor perhaps someone has a pdf and would certainly not email it to

Re: [ccp4bb] Refinement

2010-10-18 Thread Jim Fairman
Did you check your data for twinning and/or pseudo symmetry using phenix.xtriage or Pointless? If the space group is incorrect, these programs will also assist you in selecting the correct one. What were the Z-scores for the rotation and translation functions? On Mon, Oct 18, 2010 at 7:39 PM, Jy

Re: [ccp4bb] Refinement

2010-10-18 Thread Jürgen Bosch
1. How does the MR map look like ? Do you see features resembling a real solution or just noise ? 2. If the map looks decent, then try running a rigid body refinement using Refmac. Does the Rwork/Rfree dro ? 3. At this point you should look at the difference density map in Coot and be able to

[ccp4bb] Refinement

2010-10-18 Thread Jyotica Batra
Hi All I have a dataset at 1.9A, spacegroup-P212121 (unit cell: 37.7, 39.52, 231.72, 90, 90, 90), I used MR phaser and got a structure solution with LLG= 320 (1copy/a.u) . During refinement, the R-free (50%) and R-factors (42%) never go down. I have tried refining in phenix and refmac both, bu

[ccp4bb] Positions available

2010-10-18 Thread Chavas Leo
Dear all -- for those interested, we have few good positions opening at the High Energy Accelerator Research Organization (KEK). You don't want to miss the chance to come and work in this wonderful country that is Japan!!! Please have a look at the links below: http://www.kek.jp/intra-e/jobs

Re: [ccp4bb] Cys auxotroph

2010-10-18 Thread M T
I think you should look at pubmed id 14604526, it works well for me. You should obtain the cells if you contact the authors. Michel. Le 18 oct. 2010 à 17:27, Daniel Bonsor a écrit : > Have you looked at the Keio collection. Though they are not compatible with > T7 promoters, you can use the

[ccp4bb] Positions available

2010-10-18 Thread Leo Chavas
Dear all -- for those interested, we have few good positions opening at the High Energy Accelerator Research Organization (KEK). You don't want to miss the chance to come and work in this wonderful country that is Japan!!! Please have a look at the links below: http://www.kek.jp/intra-e/jobs/ Kin

[ccp4bb] Positions available

2010-10-18 Thread naalas horced
Dear all -- for those interested, we have few good positions opening at the High Energy Accelerator Research Organization (KEK). You don't want to miss the chance to come and work in this wonderful country that is Japan!!! Please have a look at the links below: http://www.kek.jp/intra-e/jobs/ Kin

[ccp4bb] Takeda San Diego, Scientist, Membrane Protein Chemistry

2010-10-18 Thread Tatone, Josephine (TPNA)
Takeda San Diego, Scientist Membrane Protein Chemistry We are seeking outstanding Membrane Protein Scientist to processes, express and then highly purify integral membrane proteins (e.g. GPCRs, ion channels and membrane-associated proteins) and their complexes with agonists or antagonists for crys

[ccp4bb] CNIO International PhD and Postdoctoral Programmes_2011 call

2010-10-18 Thread Marco Mazzorana
On behalf of Mar Pérez (Head of CNIO Training Office) Dear colleague, I would like to draw your attention to the 2010 calls for the International Ph.D. and Postdoctoral Programmes at the Spanish National Cancer Research Centre (CNIO). We would greatly appreciate if you could forward the in

Re: [ccp4bb] Cys auxotroph

2010-10-18 Thread Daniel Bonsor
Have you looked at the Keio collection. Though they are not compatible with T7 promoters, you can use the λDE3 Lysogenization Kit to add the T7 polymerase. A possible source is from Yale http://cgsc.biology.yale.edu/Auxotrophs.php though of course there are others. Dan

[ccp4bb] Cys auxotroph

2010-10-18 Thread Yogesh Gupta
Does anyone know a commercial source of Cys-auxotroph strain of E. coli to prepare a doubly (Se-Cys + Se-Met) labeled protein? I would appreciate if you can share your experience if you have labeled your protein in this way to improve Se signal for phasing. Thanks, -Yogesh -- --

Re: [ccp4bb] Big difference between anomalous map and density modification map

2010-10-18 Thread Clemens Vonrhein
Hi Mousheng, [if it gets too SHARP-centric we can also move this discussion also to sharp-discuss or our developers mailing list sharp-develop] On Mon, Oct 18, 2010 at 08:33:47AM -0500, Wu, Mousheng wrote: > my solvent content is supposed to be 65% (one molecule per > ASU). which seems to match

[ccp4bb] Lousy diffraction at home but fantastic at the synchrotron?

2010-10-18 Thread Marcus Winter
Dear Klaus, With extensive travel in the meantime, we're sorry that it took us so long to get back to you on this. Well, the true answer is that any resolution might be expected on the PX Scanner. Thus, sometimes we have observed higher resolutions on the PX Scanner than observed

Re: [ccp4bb] Big difference between anomalous map and density modification map

2010-10-18 Thread Wu, Mousheng
Hi, Clemens, sorry for the confusing and unclear expression of my case. >Confused ... what program/procedure did you use for what you call "density >modification" and what for "solvent flattening"? my solvent content is supposed to be 65% (one molecule per ASU). Sharp automatically did densit

Re: [ccp4bb] Big difference between anomalous map and density modification map

2010-10-18 Thread Clemens Vonrhein
Dear Mousheng, as others, I'm also a bit confused about the steps you did: On Sun, Oct 17, 2010 at 02:29:12PM -0500, Wu, Mousheng wrote: > Dear All, > > I have a MAD dataset at 4Å and shelxD can find clear-cut 10 > solutions (my protein has 12 methionines). Good. > I ran autosharp to refine th

Re: [ccp4bb] Big difference between anomalous map and density modification map

2010-10-18 Thread David Schuller
On 10/17/10 15:29, Wu, Mousheng wrote: Dear All, I have a MAD dataset at 4Å and shelxD can find clear-cut 10 solutions (my protein has 12 methionines). I ran autosharp to refine them followed by density modification. After density modification, I ran solvent flattening. Then I calculated the

Re: [ccp4bb] Question regarding S-SAD

2010-10-18 Thread Clemens Vonrhein
Hi Kornelius, On Mon, Oct 18, 2010 at 02:03:53PM +0200, Kornelius Zeth wrote: > What I noticed was that the spot profiles in XDS looked not as the > are supposed to, presumably because the mosaicity of the spots are > 0.4-0.6 and spot integration may be hampered. Still, merging > Rfactors are bril

Re: [ccp4bb] Question regarding S-SAD

2010-10-18 Thread Dirk Kostrewa
Dear Kornelius, a few thoughts that come to my mind: - Are you sure about the space group P6? For proteins, P6_1, P6_2, ..., P6_5 are more usual. - Did you try both hands of the Se-sites? In case of space group P6_n, you have to invert both the handedness of the sites _and_ of the space gr

[ccp4bb] Question regarding S-SAD

2010-10-18 Thread Kornelius Zeth
Dear all, we have collected S-SAD data (2x4000 Frames, 0.1 degrees, wedges of 40 Frames, Rf between 3-5% overall) and received a dataset to 2.5 A which is complete with a redundancy of 30-40. Space group is P6 and the AU 120 residues, 6 Mets. Native data are up to 1.9 A Sharp and Phenix both re

Re: [ccp4bb] Pseudo-symmetry/refinement

2010-10-18 Thread Esko Oksanen
Seema, The problem actually originates from the scaling of the data that assumes a monomodal distritbution of the intensities. This is not the case with pseudotranslation and there are two sets of reflections: the weak, pseudo-absent reflections and the strong reflections. The scaling

Re: [ccp4bb] que fem sobre això miquel? es veu que l'Esther Cid en el seu dia ja ho va enviar.

2010-10-18 Thread Esther Fernandez
>>> *Dear all, >>> >>> For the interested students:* >>> >>> *"Get on target to a career in the biomedical sciences"* >>> >>> *-Structural and Computational Biology-** >>> * >>> from *“la Caixa”/IRB Barcelona International PhD Programme fellowships* >>> >>> >>> *IRB Barcelona* is an independent, no

Re: [ccp4bb] Reindexing scaled data

2010-10-18 Thread Eleanor Dodson
You dont need to reprocess - just reindex k,l,h or whatever you want to do.. Reprocessing is not necessary if you are keeping the same pointgroup. There is no change in the expected geometry of the diffraction.If for example you were changing from pontgroup P222 where all angles are restrained

Re: [ccp4bb] Big difference between anomalous map and density modification map

2010-10-18 Thread Eleanor Dodson
Most density modification programs include aspects of solvent flattening - it is unnecessary and apparently counter-productive to do it again.. Eleanor On 10/17/2010 08:29 PM, Wu, Mousheng wrote: Dear All, I have a MAD dataset at 4Å and shelxD can find clear-cut 10 solutions (my protein ha

Re: [ccp4bb] crystal growth

2010-10-18 Thread Enrico Stura
ODD INDEED! When you get crystals with the same morphology for three different proteins in same condition you should start suspecting that they are not protein crystals but something to do with a combination of the common buffer for each of the proteins or/and the precipitant used Enrico.

Re: [ccp4bb] Pseudo-symmetry/refinement

2010-10-18 Thread Eleanor Dodson
How can you have 3 copies and one strong pseudo translation?You probably need an even number of molecules with pairs related by the translation vector. Eleanor .. On 10/17/2010 05:48 AM, Mike John wrote: Hi all, The data is 2.2A, p41212, unit cell has c axis twice longer than a or b.

Re: [ccp4bb] Fill map/mask with dummy atoms?

2010-10-18 Thread Dirk Kostrewa
Dear colleagues, many thanks for all of your kind support, following my request about placing dummy atoms into en EM-map! Here is a short summary: Frederic Vellieux kindly offered me to use his programs with clever positioning of atoms in a density. Paul Emsley pointed to a program "findwaters