Re: [ccp4bb] phasing with se-met at low resolution

2009-05-13 Thread Kevin Cowtan
This is absolutely correct - in the analysis you present, the non-anomalous scattering drops with resolution, but the anomalous part does not. And since counting noise varies with intensity, we should actually be better off at high resolution, since there is less non-anomalous scattering to

Re: [ccp4bb] phasing with se-met at low resolution

2009-05-13 Thread Marc SCHILTZ
Kevin Cowtan wrote: This is absolutely correct - in the analysis you present, the non-anomalous scattering drops with resolution, but the anomalous part does not. And since counting noise varies with intensity, we should actually be better off at high resolution, since there is less

Re: [ccp4bb] phasing with se-met at low resolution

2009-05-13 Thread Kevin Cowtan
Marc SCHILTZ wrote: I agree with everything but would like to add the following: if we assume an overall atomic displacement parameter, the drop-off in both the anomalous and non-anomalous scattering is the same. Therefore, the ratio of anomalous differences over mean intensity (which is what

Re: [ccp4bb] phasing with se-met at low resolution

2009-05-13 Thread Ian Tickle
Sorry I don't have instant access to Acta A here so can't comment in the light of the Flack Shmueli paper. But it seems to me that Kevin's point is still valid, regardless of whether or not the anomalously scattering atoms have different ADPs from the average or not. I agree that this would

Re: [ccp4bb] phasing with se-met at low resolution

2009-05-13 Thread Marc SCHILTZ
Kevin Cowtan wrote: Marc SCHILTZ wrote: I agree with everything but would like to add the following: if we assume an overall atomic displacement parameter, the drop-off in both the anomalous and non-anomalous scattering is the same. Therefore, the ratio of anomalous differences over mean

[ccp4bb] xquartz alert

2009-05-13 Thread Engin Ozkan
The new OS X 10.5.7 update downgrades your X11 to 2.1.6. There is a new X11 update, 2.3.3, only for 10.5.7 users. It might be prudent to update to 10.5.7 and then xquartz 2.3.3, before reporting that coot or something else is suddenly broken. As usual, very annoying... Engin

Re: [ccp4bb] xquartz alert

2009-05-13 Thread Phil Evans
My X11 is still on 2.3.1 after updating to 10.5.7 (I could never get X11 2.3.2 to work properly) Coot fine Phil On 13 May 2009, at 17:25, Engin Ozkan wrote: The new OS X 10.5.7 update downgrades your X11 to 2.1.6. There is a new X11 update, 2.3.3, only for 10.5.7 users. It might be

Re: [ccp4bb] phasing with se-met at low resolution

2009-05-13 Thread Jacob Keller
The reason is that you've missed out one important term: the atomic displacement parameters (B-factors), which describe a combination of thermal motion and positional disorder between unit cells. A somewhat niggling point: isn't it true that the thermal motion is insignificant at 100K? Does

Re: [ccp4bb] phasing with se-met at low resolution

2009-05-13 Thread Ethan Merritt
On Wednesday 13 May 2009 09:30:06 Jacob Keller wrote: The reason is that you've missed out one important term: the atomic displacement parameters (B-factors), which describe a combination of thermal motion and positional disorder between unit cells. A somewhat niggling point: isn't it

Re: [ccp4bb] phasing with se-met at low resolution

2009-05-13 Thread Patrick Loll
Greg Petsko's group did something like this about a billion years ago (yet, strangely, I remember the paper, even though I'd be stumped if you asked me what I had for breakfast...) They covered the range from room temp down to very cold, using different cryoprotectants (importantly, they

[ccp4bb] Postdoctoral Research Position available at UT Southwestern Medical Center

2009-05-13 Thread Diana Tomchick
This is posted as a favor for a collaborator, please do not respond to me but directly to Neal Alto. --- A postdoctoral research position is available in the laboratory of

Re: [ccp4bb] phasing with se-met at low resolution

2009-05-13 Thread Jacob Keller
So what is the approximate percent contribution of the *temperature-dependent* b-factor at 100K, for an average crystal, or how to determine such? In other words, if I have a crystal with an avg B of 20, when I go from 100K to 0K, how much lower will it drop? I recall seeing papers exploring

Re: [ccp4bb] xquartz alert

2009-05-13 Thread Andreas Förster
I was so looking forward to being able to report that Apple's recent 600 MB bugfix had got the jitters out of PyMOL on an external screen, but no. It still flickers like a German disco in the 90s when I ray trace. X11 2.4. should be coming out soon. There's always hope. Andreas Engin

[ccp4bb] Postdoc position available at UT Southwestern Medical Center

2009-05-13 Thread Xuelian Sue Luo
A postdoctoral position is available at the Department of Pharmacology, UT Southwestern Medical Center at Dallas, TX. Our lab uses both NMR and X-ray crystallography to characterize the atomic structures of macromolecules involved in cancer-related signaling pathways. We are also

Re: [ccp4bb] Software for RNA model building

2009-05-13 Thread Fabrice Jossinet
Dear Rafal, I'm developing a graphical tool to construct RNA 3D models. You can find all the details at this address: http://www.bioinformatics.org/assemble/ It is open-source. At now, i'm searching beta-testers before the official 1.0 release. If you're interested, I will send you an email

Re: [ccp4bb] phasing with se-met at low resolution

2009-05-13 Thread Ethan Merritt
On Wednesday 13 May 2009 10:22:54 Patrick Loll wrote: Greg Petsko's group did something like this about a billion years ago (yet, strangely, I remember the paper, even though I'd be stumped if you asked me what I had for breakfast...) They covered the range from room temp down to very