Re: [ccp4bb] REFERENCE_DATA_SET in XDS-CORRECT

2019-07-24 Thread Kay Diederichs
Hi Wolfram, I don't know why the (seemingly) wrong choice was made; usually this works as expected, so it may be a bug. If you send me just enough to reproduce this (XDS.INP, INTEGRATE.HKL, plus the reference data set) I'll find this out, and fix the bug if there is one. I treat all data as

Re: [ccp4bb] challenges in structural biology

2019-07-24 Thread Patrick Shaw Stewart
I take the view that I'm trying to communicate with as many people as possible, without distracting them with my spelling . . . So go for US spellings. Sent from mobile On Tue, 23 Jul 2019, 22:39 Goldman, Adrian, wrote: > ..and responding in the same vein: > > my OED says that its etymology

Re: [ccp4bb] Postdoctoral position in structural biology, Ghent University and VIB, Belgium

2019-07-24 Thread Kenneth Verstraete
Dear all, just a reminder about the post-doctoral position below. Interested candidates are encouraged to apply via https://jobso.id/bys2 . The deadline for application is August, 1st.  Kind regards, Kenneth Verstraete VIB and Ghent University,

Re: [ccp4bb] challenges in structural biology

2019-07-24 Thread Hargreaves, David
Dear CCP4bb, From my industrial perspective: The crystallisation bottleneck has probably been fairly well addressed. High throughput screening using robotics and around 20ul of protein per screen is common. There are lots of screens to try even if they are rather redundant in their content.

[ccp4bb] MX Industrial Liaison Scientist position at Diamond Light Source

2019-07-24 Thread jitka.water...@diamond.ac.uk
Dear all, The Industrial Liaison group at Diamond Light Source currently offers an exciting opportunity to join our team. We are looking for a passionate and experienced structural biologist capable of contributing to the entire experiment from crystallisation to data analysis and model

Re: [ccp4bb] challenges in structural biology

2019-07-24 Thread Patrick Shaw Stewart
I have regularly been struck by how closely related proteins crystallize in completely different conditions. Eg see Galina Obmolova and colleagues' excellent paper (ref below). A set of sixteen highly homologous Fabs were crystallized in apparently random conditions. Roughly half used PEG, half

Re: [ccp4bb] Questionable Ligand Density - Part 2

2019-07-24 Thread Rhys Grinter
Correction! I mean't 6BV0 et. al. Many apologies!!! Thanks Paul Brear for pointing this out. Rhys On Wed, 24 Jul 2019 at 21:36, Rhys Grinter wrote: > Hi All, > > Thanks for all the helpful comments and discussion surrounding my last > post. I've been doing a little more investigation into

[ccp4bb] Questionable Ligand Density - Part 2

2019-07-24 Thread Rhys Grinter
Hi All, Thanks for all the helpful comments and discussion surrounding my last post. I've been doing a little more investigation into this issue and wanted to see if people were able to provide me with some additional opinions/insights. I investigated the PDB entries for the lead deposition

Re: [ccp4bb] Questionable Ligand Density - Part 2

2019-07-24 Thread Robbie Joosten
@4) Ligand density is a social construct in which the privileged blue en green density suppress the red density. The analogy of the nobility and the bourgeoisie suppressing the worker is completely obvious ;) Cheees, Robbie On 24 Jul 2019 20:13, Bernhard Rupp wrote: Dear Ligand Hunters,