Re: [ccp4bb] Substrate density visible in relatively active mutant

2017-05-26 Thread Sudipta Bhattacharyya
Hi Seema, I guess the turnover number of the mutant enzyme is considerably low compared to the wild type one, as well as in the crystallization condition. It might be because the energy barrier of the transition state could be much higher for the mutant enzyme in the given crystallization conditio

Re: [ccp4bb] Substrate density visible in relatively active mutant

2017-05-26 Thread Parthasarathy Sampathkumar
Hi Seema, Couple scenarios plausible (i) mutant is "super slow" compared to WT that crystallization was setup prior to any significant reaction and / or (ii) components, as well the pH, of crystallization condition made the reaction even more slower. Of course, if the reaction has partially occurr

[ccp4bb] Substrate density visible in relatively active mutant

2017-05-26 Thread Seema H Irani
I crystallized a PLP dependent enzyme and wanted to capture the enzyme substrate complex, however due high activity of the enzyme I could see no density at the active site upon soaking with the substrate. I hence made a bunch of mutants of the active site residues and one of them showed density con

Re: [ccp4bb] BMA NAG FUC

2017-05-26 Thread Bernhard Rupp
Yes that works. I need to stop following instructions…. Thx, BR From: Robbie Joosten [mailto:robbie_joos...@hotmail.com] On Behalf Of Robbie Joosten Sent: Friday, May 26, 2017 13:38 To: Bernhard Rupp ; CCP4BB@JISCMAIL.AC.UK Subject: RE: [ccp4bb] BMA NAG FUC Hi Bernhard, We had the sam

[ccp4bb] ctruncate user problem

2017-05-26 Thread Ursula Schulze-Gahmen
I am using CCP4 infrequently, and I am having problems getting ctruncate to output structure factors. IMEAN and ISIGMA are written fine, but the values for F and SIGF are all question marks. Is there something obvious wrong in my script or what might be the problem here? #!/bin/csh -f ctruncate -m

Re: [ccp4bb] XDS on Windows

2017-05-26 Thread Jan Gebauer
Hi Jan, Hi Rob, hi Gustavo, thanks for you answers. I totally missed the thread in the bb and couldn't find anything in the archive also the wiki entry - frankly I havn't checked that one for a while ... Great to know that the CU update solves most of the issues regarding the openMP virt

Re: [ccp4bb] BMA NAG FUC

2017-05-26 Thread Robbie Joosten
Hi Bernhard, We had the same problem recently and it looks like a bug. The workaround is to give it an alternative name the same as the name it should have. So FUC your FUC etc ?? Cheers, Robbie Sent from my Windows 10 phone Van: Bernhard Rupp Verzonden: vri

[ccp4bb] BMA NAG FUC

2017-05-26 Thread Bernhard Rupp
Hi Fellows, upon updating a deposition of a glycosylated model, I see no longer the option in the ligand page to override the as incorrect flagged monomer assignments BMA NAG FUC etc. for glycan components. Instead, a mandatory mismatch correction is demanded. The suggestion of alternate ide