Re: [ccp4bb] Difficult Molecular replacement

2024-02-21 Thread Marco Bravo
https://www.dropbox.com/scl/fi/aqxm6s28mwbvufx5vkt4z/j7pointless.log?rlkey=075kia624ehmtzugnu5n8ymy0&dl=0 Here is a link to the pointless file , thank you for your help! To unsubscribe from the CCP4BB list, click the follow

[ccp4bb] Positions available UK

2024-02-21 Thread Panne, Daniel (Prof.)
Dear all, We currently have Postdoc positions available in our group funded by the Wellcome Trust. Our project focuses on understanding molecular mechanisms that control the regulation of 3D genome organisation and how they contribute to different aspects of genome function. The project is an i

Re: [ccp4bb] Difficult Molecular replacement

2024-02-21 Thread Oganesyan, Vaheh
Thank you! At the end it appears that Zanuda is not really a "зануда", translated from Russian as something being depressing, disagreeable or unsatisfactory. Vaheh From: CCP4 bulletin board on behalf of Randy John Read Sent: Wednesday, February 21, 2024 11:55 A

Re: [ccp4bb] i2 won't accept 90 degree angles in moniclinic

2024-02-21 Thread Phil Evans
That looks like an unnecessarily severe test buried in the i2 library, which maybe should just be a warning. I can probably have a look at it Phil Sent from my iPad > On 21 Feb 2024, at 16:52, Winter, Graeme (DLSLtd,RAL,LSCI) > <6a19cead4548-dmarc-requ...@jiscmail.ac.uk> wrote: > >  > CA

Re: [ccp4bb] Difficult Molecular replacement

2024-02-21 Thread Randy John Read
Hi, This is also one of my favourite methods, although I hadn’t realised that you could just say “labin F=FC” instead of making fake intensities! However, at a recent workshop I ran into a case where pointless misled me. This was a case with tNCS where one of the translation components was half

[ccp4bb] i2 won't accept 90 degree angles in moniclinic

2024-02-21 Thread Winter, Graeme (DLSLtd,RAL,LSCI)
Tried reporting to i2 dev list but it got bounced - feels like something others may hit so don’t feel _too_ bad sending to the bb with a tiny attachment [cid:CA3CE9EB-841D-41A3-A41E-F79714492B21] Hi Folks Helping someone out with some rather specialist data processing challenges and she hit a

Re: [ccp4bb] [EXTERNAL] Re: [ccp4bb] Difficult Molecular replacement

2024-02-21 Thread Eleanor Dodson
Various (all depressing) possibilities.. You don’t say what the sequence ID to the models us Your protein is flexible with poor fit to the available models. How well do those overlap? The bioinformatics tools in i2 give you pictures showing this. Look at them and see if there are sensible places t

Re: [ccp4bb] Difficult Molecular replacement

2024-02-21 Thread Eleanor Dodson
Cant answer your question "This might be a silly question, but I do not know the answer: After refinement in P1 how do I distinguish which axis is crystallographic and which one in non-crystallographic?" Space group validation with Zanuda [image: image.png] CCP4 https://legacy.ccp4.ac.uk › newslet

Re: [ccp4bb] Difficult Molecular replacement

2024-02-21 Thread Kay Diederichs
Hi Vaheh, for this purpose, I use pointless hklin refmacXY.mtz < wrote: ... >This might be a silly question, but I do not know the answer: After refinement >in P1 how do I distinguish which axis is crystallographic and which one in >non-crystallographic? > >Vaheh ##

Re: [ccp4bb] Difficult Molecular replacement

2024-02-21 Thread Oganesyan, Vaheh
Hi All, Interesting discussion as I have a similar case. In my case molecular replacement solution can be found easily in P21, P212121, with very similar looking electron densities. However, R-factors remain relatively high (mid 30s). In P1 completeness suffers (75% completeness), maps look dec

[ccp4bb] IMCBio International PhD program 2024

2024-02-21 Thread Albert Weixlbaumer
Hi everyone, I would like to draw your attention to the International PhD program of the Integrative Molecular and Cellular Biology (IMCBio) graduate school at the University of Strasbourg, France: https://imcbio-phdprogram.unistra.fr When you click on the link, scroll down to the section on I

[ccp4bb] Reminder: CBMS Lecture Series - Olga Rechkoblit - February 21st, 13:30 (EST)

2024-02-21 Thread Stojanoff, Vivian
You are cordially invited to join the Center for Biomolecular Structure Lecture Series ……….. Olga Rechkoblit Mount Sinai School of Medicine WEDNESDAY, February 21, 13:30 (EST) "Activation of bacterial immune system by cyclic nucleotides" Register in advance for this meeting: ht

[ccp4bb] EMBO course on “Structural characterisation of macromolecular complexes”, 1-8 June 2024, Grenoble, France

2024-02-21 Thread Wojtek Galej
Dear Colleagues, I would like to draw your attention to the upcoming EMBO Course on “Structural characterisation of macromolecular complexes”, which will take place on the 1st-8th of June 2024 at the EPN Campus in Grenoble. This course has been organised regularly since 2002 and provides part

Re: [ccp4bb] Difficult Molecular replacement

2024-02-21 Thread Randy John Read
Hi, It’s possible the true space group is P2(1) with the b-axis unique, and that subset of true symmetry is found repeatedly with different incorrect backgrounds of other copies. But I think the easiest way to resolve this unambiguously is to solve in P1, and let that uncover the true symmetry.

Re: [ccp4bb] Difficult Molecular replacement

2024-02-21 Thread Pedro Matias
But curiously, all the 4 best solutions correspond to a SG with a 21 screw along b. And amazingly none of the TF solutions is rejected due to clashes. On 21/02/2024 12:20, Eleanor Dodson wrote: Lots of comments, but it would be easier to actually look at your integrated data! Some of the stat

Re: [ccp4bb] Difficult Molecular replacement

2024-02-21 Thread Randy John Read
Hi Eleanor, > On 21 Feb 2024, at 12:20, Eleanor Dodson wrote: > > Lots of comments, but it would be easier to actually look at your integrated > data! > Some of the stats look a bit ropey - > 621 reflections labelled as outliers by PHASER? > Very anisotropic > Moments go mad at the highest r

[ccp4bb] Recruitment of the future Director of the Institut de Biologie Structurale (IBS) in Grenoble

2024-02-21 Thread Antoine Royant
*Recruitment **of the future Director of the Institut de Biologie Structurale (IBS) in Grenoble* The Institutde BiologieStructurale(IBS) in Grenoble, France,is currently seeking a Director to lead its upcoming national multi-annualplan (HCERES wave A, 2027-2031). We are looking for an individu

Re: [ccp4bb] Difficult Molecular replacement

2024-02-21 Thread Eleanor Dodson
Lots of comments, but it would be easier to actually look at your integrated data! Some of the stats look a bit ropey - 621 reflections labelled as outliers by PHASER? Very anisotropic Moments go mad at the highest resolution.. The good news - extremely strong signal from the rotation function mea

Re: [ccp4bb] Difficult Molecular replacement

2024-02-21 Thread Randy John Read
Hi Marco, To add to what Kay has said: The intensity moments from Phaser (between 1.5 and 2 for the second moments after correcting for anisotropy) are indicative of likely twinning. With the cell dimensions, it might be possible to have pseudomerohedral twinning in an orthorhombic space group

Re: [ccp4bb] Difficult Molecular replacement

2024-02-21 Thread Kay Diederichs
Hi Marco: short comments (I sent you also a private mail): - the stats in CORRECT.LP look ok, but I'd like to know what ISa is, and what the number of outliers is ("misfits"). Seeing the delta-CC1/2 stats as a function of frame number is also useful for judging e.g. the radiation damage - this