Re: [ccp4bb] Post-Doc Position Available at the Weizmann Institute of Science

2013-08-28 Thread Joel Sussman
Post-Doc Position: Structure-aided redesigning of an enzyme: molecular biology, protein expression/purification & crystallography Immediate opening, in the Sussman lab at the Weizmann Institute of Science, for a postdoctoral fellow with experience in cloning and in protein expression, purifica

Re: [ccp4bb] Resolution, R factors and data quality

2013-08-28 Thread Stefan Gajewski
Jim, This is coming from someone who just got enlightened a few weeks ago on resolution cut-offs. >>I am asked often: What value of CC1/2 should I cut my resolution at? << The K&D paper mentioned that the CC(1/2) criterion loses its significance at ~9 according to student test. I doubt that

Re: [ccp4bb] Quick resolution cutoff survey

2013-08-28 Thread Bosch, Juergen
Dear CCP4bb, almost 12h have passed since I posted this question to the board. Since some of us get daily or weekly digests I will hold off with revealing the results. But the replies thus far are really interesting and exciting, and this is without any sarcasm tags. However we have only sample

[ccp4bb] ALS Call for General User Proposals - DEADLINE SEPTEMBER 4 , 2013

2013-08-28 Thread Banumathi Sankaran
> > The deadline for Jan/July 2014 Collaborative > Crystallography proposals will be *Sep 4, 2013. * > > > > Through the Collaborative Crystallography Program (CC) at the > Advanced Light Source (ALS), sc

Re: [ccp4bb] Dependency of theta on n/d in Bragg's law

2013-08-28 Thread Ian Tickle
On 22 August 2013 07:54, James Holton wrote: > Well, yes, but that's something of an anachronism. Technically, a > "Miller index" of h,k,l can only be a triplet of prime numbers (Miller, W. > (1839). A treatise on crystallography. For J. & JJ Deighton.). This is > because Miller was trying to

Re: [ccp4bb] 'table 1'

2013-08-28 Thread Bernhard Rupp
I am pleased to hear that Table 1 has finally entered the realm of politically incorrect terms. Let me fire another insult at it: > The data statistics are an attempt to describe the quality of the actual data as a result of an experiment. Unfortunately, table 1 does not achieve that objective. T

[ccp4bb] 'table 1'

2013-08-28 Thread Tim Gruene
Hi all, I wonder when the term 'Table 1' entered Newspeak. I heard students use it rather recently, and to me it sounds derogative, as though they would treat that table as a black box generated by some program and better not look at it. The data statistics are an attempt to describe the quality

Re: [ccp4bb] Resolution, R factors and data quality

2013-08-28 Thread Bernhard Rupp
> what if the reviewer has no clue of these things we call structures ? I think > for those people table 1 might still provide some justification. Someone who knows little about structures probably won’t appreciate the technical details in Table 1 either J rgen Sent from my iPad On Aug

[ccp4bb] Position opening at RCSB PDB/Rutgers University- BIOCHEMICAL INFORMATION & ANNOTATION SPECIALIST

2013-08-28 Thread Jasmine Young
The RCSB Protein Data Bank (www.rcsb.org) is a publicly accessible information portal for researchers and students interested in structural biology. At its center is the PDB archive-the sole international repository for the 3-dimensional structure data of biological macromolecules. These str

[ccp4bb] Quick resolution cutoff survey

2013-08-28 Thread Bosch, Juergen
Since we keep discussing resolution cutoffs and the benefits of not to include all data etc. I thought I would crowd source your opinion on this particular data set. processed with XDS, here's the XSCALE.LP output: SUBSET OF INTENSITY DATA WITH SIGNAL/NOISE >= -3.0 AS FUNCTION OF RESOLUTION RE

Re: [ccp4bb] Resolution, R factors and data quality

2013-08-28 Thread Pavel Afonine
Hi, a random thought: the data resolution, d_min_actual, can be thought of as such that maximizes the correlation (*) between the synthesis calculated using your data and an equivalent Fmodel synthesis calculated using complete set of Miller indices in d_min_actual-inf resolution range, where d_mi

[ccp4bb] Protein Crystallography course via the web at Birkbeck College

2013-08-28 Thread Tracey Barrett
Dear all, registration is currently open for the postgraduate certificate course in Protein Crystallography via the web at Birkbeck that begins on Monday, October the 7th. It is for the duration of 1 year during which all aspects of protein crystallography will be covered from the funda

Re: [ccp4bb] Resolution, R factors and data quality

2013-08-28 Thread Bosch, Juergen
What a statement ! Give reviewers maps, I agree however, what if the reviewer has no clue of these things we call structures ? I think for those people table 1 might still provide some justification. I would argue it should go into the supplement at least. Jürgen Sent from my iPad On Aug 28,

Re: [ccp4bb] Resolution, R factors and data quality

2013-08-28 Thread Bernhard Rupp
> We don't currently have a really good measure of that point where adding the extra shell of data adds "significant" information > so it probably isn't something to agonise over too much. K & D's paired refinement may be useful though. That seems to be a correct assessment of the situation and

Re: [ccp4bb] Resolution, R factors and data quality

2013-08-28 Thread Phil Evans
Aimless does indeed calculate the point at which CC1/2 falls below 0.5 but I would not necessarily suggest that as the "best" cutoff" point. Personally I would also look at I/sigI, anisotropy and completeness, but as I said at that point I don't think it makes a huge difference Phil On 28 Aug

Re: [ccp4bb] Resolution, R factors and data quality

2013-08-28 Thread Arka Chakraborty
Hi all, If I am not wrong, the Karplus & Diederich paper suggests that data is generally meaningful upto CC1/2 value of 0.20 but they suggest a paired refinement technique ( pretty easy to perform) to actually decide on the resolution at which to cut the data. This will be the most prudent thing

Re: [ccp4bb] Resolution, R factors and data quality

2013-08-28 Thread Phil Evans
We don't currently have a really good measure of that point where adding the extra shell of data adds "significant" information (whatever that means. However, my rough trials (see http://www.ncbi.nlm.nih.gov/pubmed/23793146) suggested that the exact cutoff point was not very critical, presumably

Re: [ccp4bb] Resolution, R factors and data quality

2013-08-28 Thread Bernhard Rupp
>Based on the simulations I've done the data should be "cut" at CC1/2 = 0. >Seriously. Problem is figuring out where it hits zero. But the real objective is – where do data stop making an improvement to the model. The categorical statement that all data is good is simply not true in practic