Re: [ccp4bb] difficult P1 crystal

2010-09-30 Thread Goragot Wisedchaisri
We had a P1 case with 8 molecules/asu and the crystal diffracted to 2A resolution. Initial indexing showed that the data could be indexed in P212121 space group but the data could not be merged in this space group (Rsym 60%). P1 was the only space group that we could merge the data (Rsym 10%).

Re: [ccp4bb] difficult P1 crystal

2010-09-30 Thread Daniel Picot
Here is an example that is is not cryocongelation but spacegroup change upon cooling : Garavito RM, Jenkins J, Jansonius JN, Karlsson R, Rosenbusch JP. X-ray diffraction analysis of matrix porin, an integral membrane protein from Escherichia coli outer membranes. J Mol Biol. 1983 Feb 25;164(2):31

Re: [ccp4bb] difficult P1 crystal

2010-09-30 Thread Mark J van Raaij
we had a P1 case with 12 mols/au, about 30% sequence id, 2.4A resolution, which was solved after a lot of trials with phaser. Other problems of these crystals were that they took months to grow and invariable presented multiple lattices (we did not try microbeam). See: Crystallization of t

Re: [ccp4bb] difficult P1 crystal

2010-09-30 Thread Jon Schuermann
Mario, As others have asked, why/how did you decide on P1? You mentioned pseudo-translation being present. Depending on the location in the Patterson map this could be a pseudo-centering operator showing an apparent I4 space group. If this is the case you may want to reindex in the P4 cell

Re: [ccp4bb] difficult P1 crystal

2010-09-30 Thread James Holton
CCP4 bulletin board [mailto:ccp...@jiscmail.ac.uk] On Behalf Of elizabeth.d...@diamond.ac.uk Sent: Thursday, September 30, 2010 9:06 AM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] difficult P1 crystal no publication springs to mind immediately (often apparently of non scientific relevance) but I hav

Re: [ccp4bb] difficult P1 crystal

2010-09-30 Thread Daniel Bonsor
There are a couple of papers... Acta Cryst. (2010). F66, 346-351 Crystallization and X-ray diffraction studies of cellobiose phosphorylase from Cellulomonas uda The space group was originally P21. During collection the crystal moved out of the beam (and possibly the cyrostream). Upon recenter

Re: [ccp4bb] difficult P1 crystal

2010-09-30 Thread Sanishvili, Ruslan
-Original Message- From: CCP4 bulletin board [mailto:ccp...@jiscmail.ac.uk] On Behalf Of elizabeth.d...@diamond.ac.uk Sent: Thursday, September 30, 2010 9:06 AM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] difficult P1 crystal no publication springs to mind immediately (often

Re: [ccp4bb] difficult P1 crystal

2010-09-30 Thread elizabeth . duke
Liz From: CCP4 bulletin board on behalf of Sanishvili, Ruslan Sent: Thu 30/09/2010 15:03 To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] difficult P1 crystal Hi James, Can you, or anybody else, point me to a publication where "...not that uncommon for one or mo

Re: [ccp4bb] difficult P1 crystal

2010-09-30 Thread Sanishvili, Ruslan
gonne, IL 60439 Tel: (630)252-0665 Fax: (630)252-0667 rsanishv...@anl.gov -Original Message- From: CCP4 bulletin board [mailto:ccp...@jiscmail.ac.uk] On Behalf Of James Holton Sent: Thursday, September 30, 2010 8:43 AM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] difficult P1 crystal Yes

Re: [ccp4bb] difficult P1 crystal

2010-09-30 Thread James Holton
Yes, this sort of thing happens a lot more often than one might think, but people who have crystals with such "high-copy asymmetric units" tend to not solve them. Hence, they don't end up in the PDB. In cases where the structure is eventually solved, it is usually done by finding an alternati

Re: [ccp4bb] difficult P1 crystal

2010-09-30 Thread Tim Gruene
Hello Mario, at 1.9A you might even give S-SAD a try, especially if you have access to an inhouse source with the flexibility to collect data with a (real) high multiplicity. Tim On Thu, Sep 30, 2010 at 02:40:26PM +0200, Mario Milani wrote: > Thank you for the suggestions. The data resolution is

Re: [ccp4bb] difficult P1 crystal

2010-09-30 Thread Francis E Reyes
What does this mean? You index what looks to be tetragonal, do your collection, and then it integrates/scales only in P1? F On Sep 30, 2010, at 5:54 AM, Mario Milani wrote: > It initially looks like tetragonal (I4, a=141, b=141, c=208) and then > results triclinic (P1, a=141, b=141 c=144, al

Re: [ccp4bb] difficult P1 crystal

2010-09-30 Thread Mario Milani
Thank you for the suggestions. The data resolution is 1.9 so i can try different heavy atoms techniques ... anyway i am really puzzled by the peculiar assembly in the crystal and on the possible causes... does anyone know about similar cases? mario > > Mario, > beside what you were mentioning, I w

Re: [ccp4bb] difficult P1 crystal

2010-09-30 Thread Tim Gruene
Dear Mario, what is the resolution of the data? Could you try SeMet-MAD/SAD or some other phasing method to overcome the MR-problem? Tim On Thu, Sep 30, 2010 at 12:54:36PM +0100, Mario Milani wrote: > Dear all, > i have a 30 kDa protein that crystallize so far in three different conditions > b

Re: [ccp4bb] difficult P1 crystal

2010-09-30 Thread Sebastiano Pasqualato
Mario, beside what you were mentioning, I would definitely try a quick soak (10-30 seconds) of the crystals in cryo conditions supplemented with halides such as NaBr, or NaI, at pretty high concentrations (say 0.5 M), then directly freezing without backsoak. If the crystals survive the treatment

[ccp4bb] difficult P1 crystal

2010-09-30 Thread Mario Milani
Dear all, i have a 30 kDa protein that crystallize so far in three different conditions but with the same space group. It initially looks like tetragonal (I4, a=141, b=141, c=208) and then results triclinic (P1, a=141, b=141 c=144, alpha=119, beta=119, gamma=90), hosting about 24 mol. in the uni