Re: [ccp4bb] Harmful effect of X-ray

2013-07-12 Thread Mark van der Woerd
My first reaction to this question was "well, it depends". The effect of X-rays depends on (among other things) the energy (wavelength) and the intensity (and of course the dose). But I decided not to write about this until... In response to Michael's note below, I want to point out that instru

Re: [ccp4bb] Advice on setting up / maintaining a Ubuntu cluster

2013-07-31 Thread Mark van der Woerd
Dear Sergei, Many have already given good advice. A somewhat different approach: You might want to consider using a NAS for user file and program storage. We have run a group of Linux PCs for years that way and we are quite pleased with it. The NAS would take the place of your file server PC.

Re: [ccp4bb] X-ray pattern has streaks

2013-10-03 Thread Mark van der Woerd
Yes, and the mosaicity might have been poor to start with, or it might have been caused by sub-optimal freezing conditions, assuming that the crystal was frozen (not enough information to tell). I recommend doing a room temperature diffraction experiment to see which it is and act accordingly -

Re: [ccp4bb] Cyro cooling system

2013-11-11 Thread Mark van der Woerd
Hi Uday, I would simply ask Oxford for advice, I have never regretted asking them (or most others) for advice. On their web site it is written that the Desktop Cooler only goes down to 170K, so that will not do, I don't think. In fact, they only make two suggestions when you go through their pr

Re: [ccp4bb] DNA Protein co- Crystallization

2014-01-03 Thread Mark van der Woerd
Hi Venkat, 1. My protein is 646 amino acid long and it exists as homodimer. It is also having around 20 amino acid extra sequence from vector. Will vector sequence affect crystallization? Only experience can tell. You should try, if possible, to crystallize both constructs with a

Re: [ccp4bb] DNA Protein co- Crystallization

2014-01-04 Thread Mark van der Woerd
Acoot, Remember that when you crystallize something, you want to build a lattice of *the same thing*. So it is better to make a homogeneous complex (if it is not mandatory). This means that the stoichiometry of the protein and DNA has to be a constant (we used 1:1.05 with excess DNA because th

Re: [ccp4bb] cryoprotection ideas for salt based condition

2014-01-22 Thread Mark van der Woerd
Mahesh, Have you tried to see what happens when you do not freeze the crystals at all? Do you get good resolution data? Do the crystals suffer radiation damage? Those are two important questions. First, if your crystals do not diffract well before you freeze them, usually (but not always) they

Re: [ccp4bb] Control the crystallization process in the presence of small volatile organic molecules

2014-01-24 Thread Mark van der Woerd
Chen, Dioxane is not easy to work with, exactly for the reasons you describe. There is one thing you did not mention, which I know to be an additional issue: the quality of the dioxane. I do not know if you need good quality (whatever that is) but it is a fact that crystallization works with

Re: [ccp4bb] proton scattering by X-rays

2015-02-05 Thread Mark van der Woerd
Hi Peter, Try to think of it as a quantum chemist: What you call H+ is not "H+ floating in space". They are hydrogens bound to the rest of the structure by means of electrons. These electrons can be described by wave functions, which relate to probabilities where they (electrons) might be. If

Re: [ccp4bb] proton scattering by X-rays

2015-02-05 Thread Mark van der Woerd
Not very well. When you look in the originally quoted article, there is really not much difference in the ED for H+ and H- (which are conveniently both shown in Fig 2). You build a model that is consistent with 'book knowledge' (i.e. normal hydrogen has only one bond) and take it from there. Y

Re: [ccp4bb] atomic coloring for the color blind

2013-05-31 Thread Mark van der Woerd
Professor Rice, When publishing in NAR (Nucleic Acids Research), it was recommended that we use "colors friendly to the color blind". You can read about it here: http://jfly.iam.u-tokyo.ac.jp/html/color_blind/ It is quite nice that they went to the trouble of showing us "how they see it". And