[ccp4bb] Blast from the past

"Too many reflections to store" These errors are so 1993. ROFLMAO. sayre 31% wc my_structure.sca 1809450 9047245 52474047 my_structure.sca sayre 32% python Python 2.4.5 (#1, Sep 18 2008, 14:53:26) [GCC 3.2 20020903 (Red Hat Linux 8.0 3.2-7)] on linux2 Type "help", "copyright", "credits" or "l

Re: [ccp4bb] small molecule soaking screening

Hi, 1. You can learn about compound binding using methods orthogonal to X-ray (i.e. SPR, NMR, and so forth). If the sole detection method available to you is X-ray then you should expect to need a reasonably complete dataset in order to determine binding - otherwise you can easily miss binding

Re: [ccp4bb] small molecule soaking screening

Rongjin, (As you may know) there is considerable precedent for soaking mixtures of small fragments into crystals. If you choose compounds to be shaped differently, you can determine which compound is bound by the shape of the electron density map for the ligand. I would not be concerned about s

Re: [ccp4bb] Fab fragments and their stability

Hello Jan, I stored intact IgGs as an ammonium sulfate cut at 4C with a little azide for several months with no problems, but I can't recall ever trying long-term storage of the Fabs. Good luck. -Anna On Fri, Nov 6, 2009 at 8:52 AM, Jan Rash wrote: > Dear All, > > Does any body have any clue abo

[ccp4bb] corrected version : November 15, 2009 deadline- User proposal submission for Collaborative Crystallography at BCSB

Dear Users, The deadline for Jan/Feb 2010 Collaborative Crystallography proposals will be *November 15, 2009. * Through the Collaborative Crystallography Program (CC) at the Advanced Light Source (ALS), scientists can send p

[ccp4bb] small molecule soaking screening

Hi All Sorry that this is a non-ccp4 question, but I hope I can get some good suggestions from the community. We have protein crystals under various conditons and want to soak them with different potential inhibitors. Most of inhibitors have very small molecular weights (200-300), so it become

[ccp4bb] November 15, 2009 deadline- User proposal submission for Collaborative Crystallography at BCSB

Dear Users, The deadline for October/November/December 2009 Collaborative Crystallography proposals will be *November 15, 2009. * Through the Collaborative Crystallography Program (CC) at the Advanced Light Source (ALS), s

[ccp4bb] Oxidation, again!

Hello all, I posted here a few months ago. My post dealt with a protein crystal that was very sensitive to oxidation (with the SeMet derivative even more so). The protein grows in 24% PEG 1500, no more than 1 mM DTT, 0.05 M Hepes, pH 7.5, 1% glycerol. TCEP will not work, even at very low con

Re: [ccp4bb] Converting map to mtz file

Eleanor Dodson wrote: This is difficult.. Do you want to keep the same spacegroup and cell, or just embed that map in a large P1 cell and use it for molecular replacement searches? Eleanor Anita paula Testa salmazo wrote: Dear All, I have masked a map in coot and exported it. Now I'm try

[ccp4bb] Need help with the APBS program!

Dear CCP4, I am having problems running APBS in Pymol. Previous tries in which I took the following steps worked, but for some reason, it's not running now even though I'm following the exact same steps as previously and outlined below: Using the APBS plugin in Pymol: 1. Under 'Main', I select 'U

Re: [ccp4bb] sulfur sad phasing

Dear bb, we actually solved quite a lot of structure with S-SAD on in-house systems with Cu radiation. Of course it is very difficult to give absolute numbers in term of S atoms per number of residues since the success of a SAD experiment strongly depends on the quality of the crystal and the