Re: [ccp4bb] Best protocols to advance a low resolution twin

2020-09-14 Thread Rezaul Karim
Hi Ethan,In my understanding, indeed. Pretty much only 2nd domain solves the structure. When I compare with isolated 2nd domain structure, which is ~half MW, x-tal grown in different condition plus slightly higher res (2.4A), it's the same! Only difference is domain1+2 is 3A with  poor Wilson B

Re: [ccp4bb] Best protocols to advance a low resolution twin

2020-09-14 Thread Ethan A Merritt
On Monday, 14 September 2020 22:22:34 PDT Rezaul Karim wrote: > Hi Eleanor,Thanks for asking. > Yes, 2nd domain refine alright with Rfree ~25%, inhibitor at the binding site > and no major issues at all except that I don't see any trace of 1st domain > and the protein from dissolved crystals are

Re: [ccp4bb] Best protocols to advance a low resolution twin

2020-09-14 Thread Rezaul Karim
Hi Eleanor,Thanks for asking. Yes, 2nd domain refine alright with Rfree ~25%, inhibitor at the binding site and no major issues at all except that I don't see any trace of 1st domain and the protein from dissolved crystals are on SDS gel at right MW size = 1st+2nd domain.I tried all other possib

Re: [ccp4bb] [EXTERNAL] Re: [ccp4bb] Best protocols to advance a low resolution twin

2020-09-14 Thread Huw Jenkins
Hi Randy, > On 14 Sep 2020, at 18:52, Randy Read wrote: > > Thanks for pointing that out. I guess I hadn’t presumed to brand myself as > an expert! I’ll have to find out now what else I’ve been missing... Surely you should identify yourself as developer and have access to all the options!

Re: [ccp4bb] [EXTERNAL] Re: [ccp4bb] Best protocols to advance a low resolution twin

2020-09-14 Thread Randy Read
Hi Huw, Thanks for pointing that out. I guess I hadn’t presumed to brand myself as an expert! I’ll have to find out now what else I’ve been missing... Randy - Randy J. Read Department of Haematology, University of Cambridge Cambridge Institute for Medical Research Tel: +44 1223 336500

Re: [ccp4bb] [EXTERNAL] Re: [ccp4bb] Best protocols to advance a low resolution twin

2020-09-14 Thread Randy Read
given the domains you already found. > > Best, > Herman > > > Von: CCP4 bulletin board Im Auftrag von Andrew > Lovering > Gesendet: Montag, 14. September 2020 11:17 > An: CCP4BB@JISCMAIL.AC.UK > Betreff: [EXTERNAL] Re: [ccp4bb] Best protocols to advance a low r

[ccp4bb] AW: [EXTERNAL] Re: [ccp4bb] Best protocols to advance a low resolution twin

2020-09-14 Thread Schreuder, Herman /DE
t, but Phaser has to option to search for additional domains, given the domains you already found. Best, Herman Von: CCP4 bulletin board Im Auftrag von Andrew Lovering Gesendet: Montag, 14. September 2020 11:17 An: CCP4BB@JISCMAIL.AC.UK Betreff: [EXTERNAL] Re: [ccp4bb] Best protocols to advance a

Re: [ccp4bb] Best protocols to advance a low resolution twin

2020-09-14 Thread Eleanor Dodson
Rezaul: You say *But I only see the 2nd domain with exact same unit cell that I have solved for 2nd domain's with same space group. * I am afraid if that is so that you probably have only crystallised the 2nd domain. Does that domain refine all right? Eleanor On Mon, 14 Sep 2020 at 09:02, Rezaul

Re: [ccp4bb] Best protocols to advance a low resolution twin

2020-09-14 Thread Andrew Lovering
To follow on from this thread: To answer Jon, I did try to see if P6 subgroups were a possibility but can rule this out for a few reasons (MR doesn't give solutions, merging stats not suggestive of P6, the other dataset with the twin fraction that is significantly further from 50:50); and the d

Re: [ccp4bb] Best protocols to advance a low resolution twin

2020-09-14 Thread Rezaul Karim
Eagerly following >I have a similar case. A 3A data with P3(1)21 from two domains (80+% sequence identity) protein. No major twinning issue. But I only see the 2nd domain with exact same unit cell that I have solved for 2nd domain's  with same space group. No proteolysis- crystals give protein b