Re: [ccp4bb] Unknown electron density

2017-10-26 Thread Vijaykumar Pillalamarri
Dear Dr. Philippe, There is no symmetry axis nearby the density. I did not computed anomalous map for this structure. In this structure, the occupancy of Co is only 0.4 (May be because I have added less Co). We have proved the presence of Co in one of our another crystal structure of same protein

Re: [ccp4bb] MOOC "Voyage au coeur du vivant avec les rayons X : la cristallographie"

2017-10-26 Thread LEDU Marie-Helene
The Université of Paris-Saclay is pleased to present the MOOC " Voyage au cœur du vivant avec les rayons X : la cristallographie", which results from a tight collaboration between the CEA, the Synchrotron Soleil, the Ecole Polytechnique, and the CNRS. 

 The use of three-dimensional structures o

Re: [ccp4bb] OFF topic (Protein degrades during Dailysis)

2017-10-26 Thread Éverton D'Andréa
Hi Anamika, As it was said before, a cocktail of protease inhibitors should be fine. But let`s say you can not overcome the problem. It is not specified if you are doing this dialysis to cleave or not your His-tagged protein but even this you could try getting samples in 1 hour interval

Re: [ccp4bb] OFF topic (Protein degrades during Dailysis)

2017-10-26 Thread Smith Liu
suppose protease is the issue, then avoid overnight dialysis 发自网易邮箱大师 在2017年10月26日 22:18,Anamika Singh 写道: Dear All, I am purifying the His-tagged proteins ( 21Kda) using buffer 20mM Tris, 150mM Nacl, and 5mM MgCl2 with 500mM imidazole. Earlier I was facing the precipitation problem during

Re: [ccp4bb] efresol download?

2017-10-26 Thread Alexandre Ourjoumtsev
Dear Johan one more copy :-) Yes, you can get it from http://www-ibmc.u-strasbg.fr/spip-arn/spip.php?rubrique2&lang=en Sorry for inconvenience and answering so late... Luca, Daniel and Pavel, many thanks for your help ! Sacha Urzhumtsev - Le 26 Oct 17, à 18:50, Hattne, Johan a écri

Re: [ccp4bb] efresol download?

2017-10-26 Thread Alexandre Ourjoumtsev
Dear Johan one more copy :-) Yes, you can get it from http://www-ibmc.u-strasbg.fr/spip-arn/spip.php?rubrique2&lang=en Sorry for inconvenience... Luca, Daniel and Pavel, m - Le 26 Oct 17, à 17:39, Hattne, Johan a écrit : > Dear all; > Would anybody know where I can find efresol (a

Re: [ccp4bb] blast pdb for a very short sequence (3 amino acids)

2017-10-26 Thread Xiao Lei
Dear All, Thanks. I tried PDBemotif, indeed, it works very well! On Thu, Oct 26, 2017 at 10:04 AM, Andrew Lovering < andrewleelover...@googlemail.com> wrote: > The backbone psi phi angle option in pdbemotif should limit hits to a > particular secondary structure. > > Good luck! > Andy > > On 26

Re: [ccp4bb] blast pdb for a very short sequence (3 amino acids)

2017-10-26 Thread Andrew Lovering
The backbone angle search in pdbemotif should limit it to particular secondary structure. Good luck! Andy From: xiaolei...@gmail.com [xiaolei...@gmail.com] Sent: October 26, 2017 5:53 PM To: Andrew Lovering; Joana Pereira Cc: CCP4BB@JISCMAIL.AC.UK Subject:

Re: [ccp4bb] blast pdb for a very short sequence (3 amino acids)

2017-10-26 Thread Xiao Lei
Dear All, Thanks for the suggestions! I tried MPI pattern search, MOTIF2 as Andrew suggested, they worked fine to pull out of the PDB containing short sequences. What I need to do is a little bit more, I'd also like to know my hit region's secondary structure (helix, sheet, or loop), MPI and MOTI

Re: [ccp4bb] efresol download?

2017-10-26 Thread Hattne, Johan
Thanks a lot, Luca, Pavel, and Daniel! I now have sufficiently many copies to last me well into 2020! // Cheers; Johan > On Oct 26, 2017, at 11:58, Bonsor, Daniel wrote: > > Is this not it? > > http://www-ibmc.u-strasbg.fr/spip-arn/rubrique257?lang=en > > At the bottom of the page. > >

Re: [ccp4bb] Unknown electron density

2017-10-26 Thread Nick Pearce
I agree that the difference density isn’t “noise". However, just because it’s not noise doesn’t mean that it is modellable (with an atomic model) — the crystallographic density is an average over billions of molecules, and if its not obvious at 1.6Å what is bound, then it’s probably a superposit

Re: [ccp4bb] efresol download?

2017-10-26 Thread Bonsor, Daniel
Is this not it? http://www-ibmc.u-strasbg.fr/spip-arn/rubrique257?lang=en At the bottom of the page. Daniel A Bonsor PhD. Sundberg Lab Institute of Human Virology University of Maryland, Baltimore 725 W Lombard Street N370 Baltimore Maryland MD 21201 Tel: (410) 706-7457 From: CCP4 bulletin bo

Re: [ccp4bb] efresol download?

2017-10-26 Thread Pavel Afonine
Johan, core functionality described in that paper is implemented in cctbx. Re the stand-alone program -- I'm cc'ing to the author. Pavel On Thu, Oct 26, 2017 at 8:39 AM, Hattne, Johan wrote: > Dear all; > > Would anybody know where I can find efresol (as detailed in > http://dx.doi.org/10.1107

[ccp4bb] efresol download?

2017-10-26 Thread Hattne, Johan
Dear all; Would anybody know where I can find efresol (as detailed in http://dx.doi.org/10.1107/S0907444913016673) these days? Googling lead me to a 2014 post (https://www.jiscmail.ac.uk/cgi-bin/webadmin?A2=ind1406&L=ccp4bb&F=&S=&P=155751), but those links result in 403 Forbidden as of right

Re: [ccp4bb] Unknown electron density

2017-10-26 Thread Nick Pearce
Hi, Given the weakness and shapelessness of the density I doubt it is "one conformation of one thing", but rather a superposition of "one or more conformations of one or more things”. If that is the case then there probably isn’t enough information in the electron density or enough prior inform

Re: [ccp4bb] Unknown electron density

2017-10-26 Thread Parthasarathy Sampathkumar
Hi Vijay, Why there is no 2mFo-DFc (blue) feature on this mFo-DFc (green) map?!! Is the contour level for blue map set high?!! If there is no 2mFo-DFc density, should this be consider as noise?!! Hope this helps, Best Wishes, Partha On Thu, Oct 26, 2017 at 10:23 AM, Vijaykumar Pillalamarri < vi

Re: [ccp4bb] Unknown electron density

2017-10-26 Thread Vijaykumar Pillalamarri
Dear Dr. Vaheh, I tried fitting waters around Co but the positive density is still present even after refinement. Thanks, Vijaykumar On 26 October 2017 at 20:19, Oganesyan, Vaheh wrote: > Water molecules completing Co coordination? > > > > *Regards,* > > > > *Vaheh Oganesyan* > > *www.medimmun

Re: [ccp4bb] OFF topic (Protein degrades during Dailysis)

2017-10-26 Thread Ruud Hovius
Hello, PMSF inhibits only 1 class of proteinases You can try to add other inhibitors : e.g. for purification from yeast I used the following in addition to PMSF: 1000 x stock individual inhibitors pepstatin5 mg/ml methanol chymostatin1 mg/mlDMSO antipain3 mg/mlmethanol (sonicate to dissolve)

[ccp4bb] OFF topic (Protein degrades during Dailysis)

2017-10-26 Thread Anamika Singh
Dear All, I am purifying the His-tagged proteins ( 21Kda) using buffer 20mM Tris, 150mM Nacl, and 5mM MgCl2 with 500mM imidazole. Earlier I was facing the precipitation problem during dialysis but with the addition of 50mM L-Arg somehow managed to overcome the precipitation issue. But this time I

Re: [ccp4bb] mtzdmp gives segmentation fault

2017-10-26 Thread Graeme Winter
Sorry all this was obviously meant for the helpdesk... Best wishes Graeme From: CCP4 bulletin board [CCP4BB@JISCMAIL.AC.UK] on behalf of Graeme Winter [graeme.win...@diamond.ac.uk] Sent: 26 October 2017 14:56 To: ccp4bb Subject: [ccp4bb] mtzdmp gives segme

[ccp4bb] mtzdmp gives segmentation fault

2017-10-26 Thread Graeme Winter
Folks I have a data set with 50 wavelengths in - mtzdmp dies as follows: mtzdmp /dls/mx-scratch/gw56/LCY/50/process-all-merge-sep/LCY15/scale/LCY_LCY15_sorted.mtz ### #

[ccp4bb] X-ray Lab Manger Birbeck University of London- Permanent Post

2017-10-26 Thread Nicholas Keep
There is a vacancy for an X-Ray Laboratory Manager at the Institute for Structural and Molecular Biology at Birkbeck/UCL based at Birkbeck, University of London. see https://tinyurl.com/y7jgfmr5 This is a permanent University Funded post.  A brief description of the role is below and informal

[ccp4bb] Post-doctoral fellowship in Structural Molecular Biology

2017-10-26 Thread Mario Tyago Murakami
Post-doctoral position in Structural Biology at UFSCAR (Federal University of São Carlos) / CNPEM (National Center for Research in Energy and Materials) within a Thematic Project on bioluminescence supported by FAPESP, to work with Profs. Mario Murakami and Vadim Viviani. Expertise required in p

[ccp4bb] Seeking information of structural biology PhD programs.

2017-10-26 Thread sadik sattar
Esteemed members of the structural biology community, I am Shadikejiang (preferably Sadiq) from the University of Glasgow. I have recently finished my master’s study and am currently looking for a PhD position in the field of structural biology. I completed my undergraduate study at Shanghai Jiao

[ccp4bb] Reminder: Travel bursaries to CCP4 Study Weekend 2018 - deadline for applications 31st October 2017 - i.e. next Tuesday

2017-10-26 Thread Karen McIntyre
TRAVEL BURSARIES Limited funds have been made available to help pay travel costs for students and young post-docs from non-UK laboratories. Please send a separate letter, signed by your supervisor and stating the expected cost of travel in pounds sterling, to justify applications for travel su

Re: [ccp4bb] blast pdb for a very short sequence (3 amino acids)

2017-10-26 Thread Andrew Lovering
I would guess that you want to search PDB for a small motif you've observed in a structure of yours, looking to find examples of it used in same context? If that's true, I would recommend PDBemotif, put the sequence in, and then use the backbone psi phi angles of your motif as a secondary constra