Re: [ccp4bb] MLY

2009-04-24 Thread Phil Evans
Here's one I made earlier Phil MLY.cif Description: Binary data On 24 Apr 2009, at 23:09, Engin Ozkan wrote: Hi everyone, We just realized in the lab that the dimethyl-lysine in the ccp4 monomer database (MLY) has planar tertiary amines, instead of trigonal pyramid with ~109º degree a

[ccp4bb] hydrogen bond between aspartate side chain and main chain carbonyl group?

2009-04-24 Thread Frank Lee
Hi, In a new structure we observed a hydrogen bond between an aspartate side chain and a main chain carbonyl group. Because both of them are electronegative, I am puzzled. My questions are: does this hydrogen bond make sense at all? any precedent for such a hydrogen bond? I would appreciate

Re: [ccp4bb] Reason for Neglected X-ray Fluorescence

2009-04-24 Thread James Holton
Jacob Keller wrote: Dear Dr. Holton and CCP4BBers, Are you saying that a resonant event is always accompanied by a fluorescence event? no. For example, with selenium only ~59% of the core holes decay by emitting a fluorescent x-ray. The rest by emitting an Auger electron. The latter seldo

Re: [ccp4bb] Reason for Neglected X-ray Fluorescence

2009-04-24 Thread Joseph Ferrara
> On Friday 24 April 2009 11:53:27 Jacob Keller wrote: > > Aha, so I have re-invented the wheel! But I never made sense of why > f' is > > negative--this is beautiful! Just to make sure: you are saying that > the real > > part of the anomalous scattering goes negative because those photons > are >

[ccp4bb] MLY

2009-04-24 Thread Engin Ozkan
Hi everyone, We just realized in the lab that the dimethyl-lysine in the ccp4 monomer database (MLY) has planar tertiary amines, instead of trigonal pyramid with ~109º degree angles (which we have fixed for our purposes). Is there a place to report such matters to, or is this a good enough pla

Re: [ccp4bb] Reason for Neglected X-ray Fluorescence

2009-04-24 Thread Ethan Merritt
On Friday 24 April 2009 11:53:27 Jacob Keller wrote: > Aha, so I have re-invented the wheel! But I never made sense of why f' is > negative--this is beautiful! Just to make sure: you are saying that the real > part of the anomalous scattering goes negative because those photons are > sneaking ou

[ccp4bb] Watertidy troubles

2009-04-24 Thread Borhani, David
I'm running watertidy to move all waters to the (symmetry-related) position closest to my protein. One protein chain (A), 144 waters (chain W). Trouble is, one round of watertidy doesn't move many of the waters (e.g., a water only 2.7 Ang. from a carbonyl oxygen of a symm-related protein was not m

Re: [ccp4bb] Reason for Neglected X-ray Fluorescence

2009-04-24 Thread Jacob Keller
Aha, so I have re-invented the wheel! But I never made sense of why f' is negative--this is beautiful! Just to make sure: you are saying that the real part of the anomalous scattering goes negative because those photons are sneaking out of the diffraction pattern through absorption-->fluorescenc

Re: [ccp4bb] Reason for Neglected X-ray Fluorescence

2009-04-24 Thread Ethan Merritt
On Friday 24 April 2009 11:28:16 Jacob Keller wrote: > Dear Dr. Holton and CCP4BBers, > > Are you saying that a resonant event is always accompanied by a fluorescence > event? If that were true, wouldn't the resonant event end up manifesting as > *negative* scattering component from the resonant

Re: [ccp4bb] Reason for Neglected X-ray Fluorescence

2009-04-24 Thread Jacob Keller
Dear Dr. Holton and CCP4BBers, Are you saying that a resonant event is always accompanied by a fluorescence event? If that were true, wouldn't the resonant event end up manifesting as *negative* scattering component from the resonant atom, due to the elimination of an otherwise-scattered photo

Re: [ccp4bb] Cryo-protectant

2009-04-24 Thread Joe
Title: Re: [ccp4bb] Cryo-protectant First of all, you need to find out if crystals you grew have similar quality before you conclude poor diffraction is due to cryoprotectant solutions. As others have suggested, you can test crystals using capillary mounting method. Second, there are a lot mor

Re: [ccp4bb] microbatch vs hanging drop

2009-04-24 Thread rui
Thanks all for your kind suggestions. Thanks for Janet for pointing out that I actually mess up with some terminology. The microbatch I mentioned is not real "microbatch". What I meant to say is the 3 subwell plates with 96 wells, from Greiner (CrystalQuick Cat.-No.: 609101). So what i'm trying to

Re: [ccp4bb] microbatch vs hanging drop

2009-04-24 Thread Patrick Shaw Stewart
Rui Microbatch - which I take to mean crystallization under oil with no reservoir - has many advantages, but with some robots it's a little slower to set up (20 mins on ours). So most people I know start off with vapor diffusion and only move to microbatch if they have problems with VD. I

[ccp4bb] New version of Structure (protein OS X screensaver) released

2009-04-24 Thread William G. Scott
Begin forwarded message: From: Benjamin Blonder Date: April 24, 2009 9:39:14 AM PDT Subject: New version of Structure (protein screensaver) released Hi everyone! At some point in the past you've written to me, asking if Structure would be re-released for Intel macs. I'm pleased to let you know

Re: [ccp4bb] Cryo-protectant

2009-04-24 Thread Andy Torelli
Hi Liew, There have already been some very good suggestions. I agree with Tim Gruene that a great starting point is to test the diffraction properties of your crystal at room temperature. This can serve as a baseline for comparing/evaluating cryoprotecting agents and methods. You can als

Re: [ccp4bb] Cryo-protectant

2009-04-24 Thread Liew Chong Wai
Hi all Thanks for your precious suggestions and ideas. The crystallization buffer condition is 0.1M BIS-TRIS pH 5.5, 0.2M MgCl.6H2O, 35% PEG3350 Now, my crystal seem ok in 20% ethylene glycol, but only after a couple minutes of dehydration at room temperature. For sure, i will try other cryopr

Re: [ccp4bb] Cryo-protectant

2009-04-24 Thread Ed Pozharski
What is the crystallization condition? On Fri, 2009-04-24 at 11:46 +0800, Liew Chong Wai wrote: > Hi all, > > Good day > I used MPD as a cryoprotectant (20%, 30%) for my crystal. However, > there is no diffraction signal at all. Without the MPD cryo, i still > manage to get 5angstrom, but it ha

Re: [ccp4bb] Cryo-protectant

2009-04-24 Thread Roger Rowlett
I usually try the following, in order: 1. Transfer crystals to mother liquor + 30% glycerol or ethylene glycol (sometimes lower depending on crystallization solution). This did not work for you. 2. Transfer crystals to mother liquor + 30% glucose (or try sequential soaks in M.L. + 15% and then

Re: [ccp4bb] Twinning or not?

2009-04-24 Thread Ian Tickle
> -Original Message- > From: owner-ccp...@jiscmail.ac.uk [mailto:owner-ccp...@jiscmail.ac.uk] On > Behalf Of Eleanor Dodson > Sent: 23 April 2009 15:59 > To: Kumar > Cc: CCP4BB@jiscmail.ac.uk > Subject: Re: [ccp4bb] Twinning or not? > > Look at the moment plots after scalepack2mtz; if thes

Re: [ccp4bb] Cryo-protectant

2009-04-24 Thread Tim Gruene
Hallo, there is quite a large number of cryo-protectants other than MPD or glycerol. If I remember correctly, the Methods of Enzymology, (176) list some of the, and you might check the recipes of the Hampton cryo screen. As suggested by Li, you can try oils. You can use small sugars (fructose