[ccp4bb] AW: [ccp4bb] Hi

2013-06-10 Thread Herman . Schreuder
Hi Wei, if you tried both P3 and P6 and all subgroups, the right space group should have been in there. By the way, the number of monomers in the a.u. will depend on the exact space group (e.g. 1 in P622, 2 in P6 or P321, 4 in P3). There might be a conformational change, which causes the MR prog

Re: [ccp4bb] pdbset

2013-06-10 Thread Tim Gruene
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Dear Swastik Phulera, after the word 'output.pdb' you must first hit the Enter-key which takes you into the program pdbset. Then you type B_reset Minimum 0 END and the program runs. If you wish to do it without interaction, e.g. in a script, you can

[ccp4bb] pdbset

2013-06-10 Thread Swastik Phulera
Dear All, I am trying to use pdbset from the terminal and am constantly getting an error: [XYZ@NCCS3 110613]$ pdbset XYZIN input.pdb XYZOUT output.pdb B_reset MINIMUM 0 >> CCP4 library signal ccp4_general:Use: (Error) raised in ccp4fyp << pdbset: Use: pdbset: Use: Times: Us

Re: [ccp4bb] Protein concentration for crystallization

2013-06-10 Thread Debasish Chattopadhyay
Perhaps my question was not expressed well. I wanted to know if proteins crystallize more frequently when the protein concentration is in the range 5-30mg/ml. The answer pointed out by my colleague Todd Green is on the page http://www.douglas.co.uk/PDB_data.htm Thanks for your inputs. Debasish

Re: [ccp4bb] Off-topic: NMR and crystallography

2013-06-10 Thread Valerie Pye
Hi Theresa, I think you have to be very careful with NMR of homo-oligomers, even if they’re small proteins: the NMR model/structure (backbone only) of a small integral membrane kinase was a huge effort - http://www.ncbi.nlm.nih.gov/pubmed/19556511 but is very different from the recently published

Re: [ccp4bb] Hi

2013-06-10 Thread Bernhard Rupp
I guess Wei means just the lattice symbol, taken from the indexing program? br -Original Message- From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Eleanor Dodson Sent: Monday, June 10, 2013 10:52 PM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] Hi I don't really und

Re: [ccp4bb] Hi

2013-06-10 Thread Bosch, Juergen
The other obvious conclusion would be that dataset #3 is a different protein perhaps ? How about pointless for your third dataset ? Jürgen On Jun 10, 2013, at 2:57 PM, Wei Shi wrote: Hi all, I was trying to solve the structure of a protein in several different datasets using xds and phenix. I c

Re: [ccp4bb] Hi

2013-06-10 Thread Bosch, Juergen
Hi Eleanor, C2 - this was XDS lingo or Bravais talk :-) Jürgen ** LATTICE SYMMETRY IMPLICATED BY SPACE GROUP SYMMETRY ** BRAVAIS-POSSIBLE SPACE-GROUPS FOR PROTEIN CRYSTALS TYPE [SPACE GROUP NUMBER,SYMBOL] aP [1,P1] mP [3,P2] [4,P2(1)] mC,mI

Re: [ccp4bb] Hi

2013-06-10 Thread Eleanor Dodson
I don't really understand what your space group is? space group mC??? Eleanor On 10 Jun 2013, at 19:57, Wei Shi wrote: > Hi all, > I was trying to solve the structure of a protein in several different > datasets using xds and phenix. I could solve the structure from one dataset > in space group

Re: [ccp4bb] Protein concentration for crystallization

2013-06-10 Thread rana ibd
Dear Debasish What do you mean by percentage? do you mean consentration? so if you mean cons. I think you should test you protein using a TCP kit to observe at what cons. would your protein  precipitate, this way you would verify the convinient cons.  for your protein before crystallization Best

[ccp4bb] Hi

2013-06-10 Thread Wei Shi
Hi all, I was trying to solve the structure of a protein in several different datasets using xds and phenix. I could solve the structure from one dataset in space group P4. For another dataset, I could solve the structure using the monomer of the structure I got from the first dataset as search mo

Re: [ccp4bb] Protein concentration for crystallization

2013-06-10 Thread Evgeny Osipov
Dear Debasish, you can use REMARK 200 field in pdb file. Sadly, this field is not mandatory so not everyone provide protein concentration info. 10.06.2013 18:49, Debasish Chattopadhyay ?: What would be a convenient way to estimate what percentages of proteins have been crystallized in a

[ccp4bb] Protein concentration for crystallization

2013-06-10 Thread Debasish Chattopadhyay
What would be a convenient way to estimate what percentages of proteins have been crystallized in a concentration range, for example 5-30 mg? Debasish Chattopadhyay University of Alabama at Birmingham CBSE-250 1025 18th Street South, Birmingham, Al-35294 USA Ph: (205)934-0124; Fax: (205)934-0480