[ccp4bb] solvent masks

2017-02-10 Thread Kajander, Tommi A
Hi All, Was there a convenient way to make a solvent mask for a region with a model - its been a while - and use that to generate maps (i have a domain that is only partially visible, could not be found be molecular replacement), its there though. Could be that its not well ordered, but I

[ccp4bb] MOLREP phased translation function

2017-01-18 Thread Kajander, Tommi A
Hi, is the phased translation function in MolRep still working under CCP4 - doenst seem to go forward with the old CCP4 GUI (i cant get any coordinated out phased or not) and the new one (CCP4i2) doesnt seem to have that option? (in other words i cant get any solution written out as

[ccp4bb] completeness drops from conversion from XDS to Fs

2016-10-21 Thread Kajander, Tommi A
Hi, This seems very stupid but I have some data sets processed with XDS with apparently close to 100% completeness (high symmetry F4132) only 50 (or 100) degrees of data, fine, but still looks complete overall, given the high symmetry, though low res could be better. After running it via

Re: [ccp4bb] completeness drops from conversion from XDS to Fs

2016-10-21 Thread Kajander, Tommi A
). Thanks for comments! Tommi On Oct 21, 2016, at 6:11 PM, Kajander, Tommi A <tommi.kajan...@helsinki.fi<mailto:tommi.kajan...@helsinki.fi>> wrote: Hi, This seems very stupid but I have some data sets processed with XDS with apparently close to 100% completeness (high symmetry F4

[ccp4bb] rapper

2017-04-04 Thread Kajander, Tommi A
Dear all, Has anyone tested RAPPER recently - doenst seem to work with me from the ccp4i 7.0.015 with a map (from buster-TNT). (either ca-trace option - with partial region defined or the "rebuild badly fitting residues" - complains and generates nothing. Is there something obvious I might be

[ccp4bb] refinement / modeling of partly mobile domain

2017-03-10 Thread Kajander, Tommi A
Any hints on what might work for modeliing a domain that seems to be there visible in part and parly not? (half ofan Ig-domain) - presumably the other end of the domain has larger ensemble of coordinate postions (attached from one end to other part of the same molecule and neighbors in the

[ccp4bb] VS: [ccp4bb] Se-Met and Se-Cys double labelling

2017-06-21 Thread Kajander, Tommi A
Something like Balbes for MR is worth a shot? I wouldnt bother manually with MR anymore unless really clear. Or try Hg and Pt for Cys, His and Met. I would try the Pt chlorides. All depends on pH etc... Tommi Alkuperäinen viesti Lähettäjä: "Keller, Jacob"

Re: [ccp4bb] coordinate transformation

2017-12-15 Thread Kajander, Tommi A
to origin then 2) get the transformation for dimer (coot + PISA seems to do fineŠ I thinkŠ wil check what happens in refinementŠ) Achesym just gave an error and didn't find any transformations for some reason - this is in F4132. No idea why it happened - will try to remember to report it. T

Re: [ccp4bb] coordinate transformation

2017-12-14 Thread Kajander, Tommi A
. Cheers, Tommi From: CCP4 bulletin board <CCP4BB@JISCMAIL.AC.UK> on behalf of Paul Emsley <pems...@mrc-lmb.cam.ac.uk> Sent: Thursday, December 14, 2017 3:25:19 AM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] coordinate transformation On 13/1

[ccp4bb] coordinate transformation

2017-12-13 Thread Kajander, Tommi A
Hello, If someone could point this out would be very helpful... Wasnt there a simple script somewhere that would transfer coordinates close to origin - if they for some reason are not? Just cant find anything right away. Sure i have done this before... Thanks, Tommi

Re: [ccp4bb] screw axes /system. absenses and phaser/MR solutions

2018-08-08 Thread Kajander, Tommi A
Lähetetty: keskiviikko 8. elokuuta klo 17.46 Aihe: Re: [ccp4bb] screw axes /system. absenses and phaser/MR solutions Vastaanottaja: Kajander, Tommi A Kopio: CCP4BB@JISCMAIL.AC.UK How many molecules in the asymmetric unit? and is there a non-crystallographic translaton? Eleanor On 8 August 2018

Re: [ccp4bb] screw axes /system. absenses and phaser/MR solutions

2018-08-09 Thread Kajander, Tommi A
d XDS might be conservative and not estimate the likelihood for the second screw-axis. MR, however, will pick up the space group with all data, and thus be able to tell between P2212 and P22121 whether or not you recorded reflections that are expected to be absent. Best, Tim On 08/08/2018 04:29 P

[ccp4bb] screw axes /system. absenses and phaser/MR solutions

2018-08-08 Thread Kajander, Tommi A
Hi, Any clues why the followting happens: pointless (and just looking at the XDS output) clearly tells there is one screw axis in P-ortorhombic (P2212) yet phaser gives the best Z-scores in P22121. (...I suspect this may be to do with twinning - might be monoclinic twiined still though now

Re: [ccp4bb] Fishing crystals from volatile solvent as precipitant

2018-08-14 Thread Kajander, Tommi A
Hi, One way is to cover the drop with e.g. paraffin oil (to prevent evaporation) and fish it out in the oil. Have had luck with that in some cases. Tommi On 14 Aug 2018, at 22:09, Bonsor, Daniel mailto:dbon...@som.umaryland.edu>> wrote: I have had some luck with adding ~5-10ul of 60%-70%

Re: [ccp4bb] Fishing crystals from volatile solvent as precipitant

2018-08-15 Thread Kajander, Tommi A
Yes sorry, i meant paratone-N also. Tommi Kohteesta: ferrer Lähetetty: keskiviikko 15. elokuuta klo 0.41 Aihe: Re: [ccp4bb] Fishing crystals from volatile solvent as precipitant Vastaanottaja: ccp4bb@jiscmail.ac.uk Dear Thomas, Alternatively you can try shooting on crystals in the drop, in

[ccp4bb] data processing with split/bad crystals

2018-07-16 Thread Kajander, Tommi A
Dear All, I was wondering what would be the best software nowadays to try to process data from crystal that clearly is split or has a secondary set of lattice points (close, poor data) in the raw data - data can be processed with XDS (2.9-2.8 Å) but Rmerge tends to be bit high at low

Re: [ccp4bb] data processing with split/bad crystals

2018-07-22 Thread Kajander, Tommi A
mail : l.m.j.kroon-batenb...@uu.nl<mailto:l.m.j.kroon-batenb...@uu.nl> phone : +31-30-2532865 fax: +31-30-2533940 From: CCP4 bulletin board [CCP4BB@JISCMAIL.AC.UK<mailto:CCP4BB@JISCMAIL.AC.UK>] on behalf of Kajander, Tommi A [tommi.kajan...@

Re: [ccp4bb] data processing with split/bad crystals

2018-07-22 Thread Kajander, Tommi A
mail : l.m.j.kroon-batenb...@uu.nl<mailto:l.m.j.kroon-batenb...@uu.nl> phone : +31-30-2532865 fax: +31-30-2533940 From: CCP4 bulletin board [CCP4BB@JISCMAIL.AC.UK<mailto:CCP4BB@JISCMAIL.AC.UK>] on behalf of Kajander, Tommi A [tommi.kajan...@

[ccp4bb] Group Leader position - Institute of Biotechnology, University of Helsinki

2019-10-01 Thread Kajander, Tommi A
Dear All, I would like to draw your attention to the open group leader position at Institute of Biotechnology, University of Helsinki, Finland: https://www.helsinki.fi/en/open-positions/a-group-leader-institute-of-biotechnology-hilife Structural biology one of the main fields - if you feel you

[ccp4bb] Rigaku Minstrel and Windows10

2019-11-27 Thread Kajander, Tommi A
Dear All, Bit off-topic if allowed: I would like to ask has anyone had problems or successes updating the Rigaku Minstrel computers to Windows 10? Would like to hear about experiences if anyone can provide insight. Thank you very much, Tommi Tommi Kajander, PhD Principal investigator

[ccp4bb] coiled coil molecular replacement

2019-10-07 Thread Kajander, Tommi A
Hello, We have a bit tricky case of coiled coil protein with good data (2.05Å) for dimeric coiled coil (dimer in AU) - looks like AMPLE might be a way to solve such cases, if you know other good programs please suggest (Better yet if there is a clear how-to manual) Some technical tips on

Re: [ccp4bb] coiled coil molecular replacement

2020-01-22 Thread Kajander, Tommi A
umentation in the next few months and we'll include an example of use of this new coiled-coil mode at that time. Best wishes Dan On 07/10/2019 22:33, Kajander, Tommi A wrote: > Hello, > > We have a bit tricky case of coiled coil protein with good data (2.05Å) for > dimeric coiled coil

[ccp4bb] experiences with cross-polarisers / black-white imaging vs color

2020-10-01 Thread Kajander, Tommi A
Hi all, can I get views on imagers with with cross-polarizers and how well that works with black-and-white imaging vs color? Thank you, Tommi Tommi Kajander, Ph.D., PI Structural Biology and Biophysics Institute of Biotechnology University of Helsinki Viikinkaari 1 (P.O. Box 65) 00014

[ccp4bb] Post doctoral position in structural biology of ER protein complexes

2021-04-26 Thread Kajander, Tommi A
Dear All, I’d like to draw your attention to open post doctoral position in our laboratory in Helsinki in biochemical and biophysical characterisation and structural biology of novel endoplasmic reticulum stress regulator protein complexes. Position is for one year initially with possibility

[ccp4bb] Fwd: Position open in the HILIFE Instruct-FI cryoEM unit for a research technician - please distribute

2023-06-16 Thread Kajander, Tommi A
Daer All, FYI, we have a job opening in CryoEM for research technician in Helsinki. Best, Tommi Tommi Kajander, Ph.D. Head of Unit, Protein crystallisation INSTRUCT-HiLIFE Institute of Biotechnology University of Helsinki Viikinkaari 1 (P.O. Box 65) 00014 Helsinki, Finland p. +358-50-4480991