Re: [ccp4bb] renaming an holo PDB after the alo one

2011-09-26 Thread David Veesler
Hi François, Chainsaw should do the job for you if you input a clustal alignment. Cheers David Le 26 sept. 2011 à 17:44, Francois Berenger a écrit : > Hello, > > I have one bound complexe (a ligand + a protein in holo conformation). > I also have the apo structure for a very similar protein. >

Re: [ccp4bb] how to combine the experimental phase and molecular replacement phase

2011-07-12 Thread David Veesler
Hi Jiamu, to complete the Juergen answer, that's true that the MR-SAD approach is very powerful and can definitely help in your case. You can use Sharp and add the information from your partial molecular replacement solution encoded as HL coefficients and do a MR-SAD phasing. Here is the procedu

Re: [ccp4bb] 回复:Re: [ccp4bb] High resolution + low resolution data sets from one crystal

2011-05-30 Thread David Veesler
t reference in HKL2000 or CCP4. > If using CCP4, should I also use imosflm to do integrate? > > thanks, > pengfei > > At 2011-05-31 02:32:03,"David Veesler" wrote: > Hi Pengfei, > you can combine your files using pointless but it is unclear to me based on >

Re: [ccp4bb] High resolution + low resolution data sets from one crystal

2011-05-30 Thread David Veesler
Hi Pengfei, you can combine your files using pointless but it is unclear to me based on your message if you have scaled independently the two data sets or not. You should scale these two data sets together using one as reference (doable using XSCALE or SCALA...). Cheers David Le 30 mai 2011 à 11

Re: [ccp4bb] Structure containing nickel ions from Ni-NTA column

2010-12-10 Thread David Veesler
Hi Kristof, depending on what you termed "specific sites" the answer is definitely yes. I experienced such a case in the following reference related to the AcrB structure but I remember that this situation arose also in the case of the LTC4 structure. -There is a baby in the bath water: Ac

Re: [ccp4bb] Enforcing ncs on water molecules

2010-11-15 Thread David Veesler
Dear Dale, concerning the first part of your request you can use BUSTER and include your water molecules in ncs restraints. Here is the link for the wiki explaining that http://www.globalphasing.com/buster/wiki/index.cgi?AutoBusterExample4chawaterNCS HTH All the best David Le 15 nov. 10 à 21:4

[ccp4bb] Fwd: [ccp4bb] measure detergent concentration

2009-10-24 Thread David Veesler
To measure detergent concentrations in protein samples, the way that I recommend is ATR-FTIR, it is very accurate, fast (10min ) and requires as low as 10uL of protein sample. Here is the reference: · PVeesler, D. et al. Production and biophysical characterization of the CorA transport