Re: [ccp4bb] Experimental phasing Selenomethionine data collection etc. tips

2024-05-18 Thread Kay Diederichs
On Fri, 17 May 2024 08:27:02 -0700, James Holton wrote: ... > >With a bit of a caveat on how many photons/pixel you need for stable >background subtraction. XDS starts having issues around 1 photon/pixel >or less, and DIALS claims to be able to get to 0.01 photons/pixel, but I >have not

Re: [ccp4bb] Experimental phasing Selenomethionine data collection etc. tips

2024-05-17 Thread Briony Yorke
Briony From: CCP4 bulletin board on behalf of Guillaume Gaullier Date: Friday, 17 May 2024 at 17:07 To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] Experimental phasing Selenomethionine data collection etc. tips CAUTION: External Message. Use caution opening links and attachments. Hello,

Re: [ccp4bb] Experimental phasing Selenomethionine data collection etc. tips

2024-05-17 Thread Guillaume Gaullier
do now? Cheers, Guillaume From: CCP4 bulletin board on behalf of James Holton Sent: Friday, May 17, 2024 5:27:02 PM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] Experimental phasing Selenomethionine data collection etc. tips A few follow-up questions I g

Re: [ccp4bb] Experimental phasing Selenomethionine data collection etc. tips

2024-05-17 Thread James Holton
A few follow-up questions I got out-of-band: how did you get to the 1:1 relationship between Bijvoet ratio and dose? I got this from fitting a straight line to Table 1 of Banu's 2004 paper: 10.1107/S0907444904007917 Is this a rough estimate based on a singular result?  Of course it is!  This

Re: [ccp4bb] Experimental phasing Selenomethionine data collection etc. tips

2024-05-15 Thread James Holton
Thank you to all who provided helpful suggestions so far. A few things I'd recommend for this particular beamline (which I have been running for 20+ years) Do NOT collect one wavelength at a time. This was a good strategy on old beamlines with noisy detectors and slow, drifty monochromators.

Re: [ccp4bb] Experimental phasing Selenomethionine data collection etc. tips

2024-05-14 Thread Tom Peat
CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] Experimental phasing Selenomethionine data collection etc. tips Hi With this in mind, I have found the easiest way to generate AlphaFold models (for those not in the DB) is actually in CCP4 Cloud-remote - makes MR using AF models a real doddle. See the Tut

Re: [ccp4bb] Experimental phasing Selenomethionine data collection etc. tips

2024-05-14 Thread Orr, Christian (DLSLtd,RAL,LSCI)
From: CCP4 bulletin board on behalf of dbellini Sent: Tuesday, May 14, 2024 06:23 To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] Experimental phasing Selenomethionine data collection etc. tips [You don't often get email from dbell...@mrc-lmb.cam.ac.uk. Learn

Re: [ccp4bb] Experimental phasing Selenomethionine data collection etc. tips

2024-05-14 Thread Harry Powell
Hi With this in mind, I have found the easiest way to generate AlphaFold models (for those not in the DB) is actually in CCP4 Cloud-remote - makes MR using AF models a real doddle. See the Tutorials (in particular on MR) available with CCP4 Cloud. Harry > On 14 May 2024, at 09:20, Randy

Re: [ccp4bb] Experimental phasing Selenomethionine data collection etc. tips

2024-05-14 Thread Randy John Read
Dear Marco, You don’t mention here or in the earlier thread whether you tried AlphaFold models and, if you did, how you prepared them for MR. I’m happy to hear of any case where we still need experimental phasing methods to solve new protein structures, but we’ve seen very few examples where

Re: [ccp4bb] Experimental phasing Selenomethionine data collection etc. tips

2024-05-13 Thread dbellini
Hi Marco, A few suggestions that I like to follow for MAD experiments: Before everything, check you have at least about 1 SeMet per 100 residues Then before crystallisation check by MassSpec that SeMet is properly incorporated in your protein After crystallisation collect first on the peak

[ccp4bb] Experimental phasing Selenomethionine data collection etc. tips

2024-05-13 Thread Marco Bravo
Hello all, I have a data collection trip next week and plan to collect data on selenomethionine derivative crystals at the al831 beamline. Are there any resources, tips, tutorials, literature etc. That you can recommend to help me prepare for these experiments. Also is there a way to plug in