Behalf Of Stefan Gajewski
Sent: Wednesday, December 14, 2011 6:24 PM
To: CCP4BB@JISCMAIL.AC.UK
Subject: Re: [ccp4bb] very strange lattice: high anisotropy, 78%
solvent content and maybe merohedral twinning
Thanks to everyone so far.
Here
Hi Debasish,
On Wed, Dec 14, 2011 at 9:23 AM, Debasish Chattopadhyay wrote:
> How about plotting the solvent content along with resolution limits of the
> structures?
>
here it is:
Resolution Number of Solvent % (mean/min/max) Solvent % (mean/min/max)
range structures from remarks
anisotropy, 78% solvent
content and maybe merohedral twinning
Hi Stefan,
1)
just out of curiosity I wrote a tiny script using CCTBX that estimates solvent
content via bulk-solvent mask, and quickly run this script for all PDB
structures for which I could re-calculate the R-work within 5% from
Give XDS a try with your data or d*trek with 3d profile fitting.
Did you try iMosflm or the old Mosflm ? If old, then POSTREF WIDTH 15 might
help and POSTREF FIX BEAM
You saw the nice packing from Tjaard, if all your molecules have contact with
each other than that's fine I was just concerned ab
Jürgen,
Have you checked a simple selfrotation function in your currently favored
> space group ?
>
Yes, both selfrotation function and patterson map do not look suspicious in
I422.
> Do you have sufficient data collected to start out in P1 or C2 ? Then I
> would start there and systematically
Don't forget that if you have poorly resolved spots due to the long axis, the
intensity statistics may falsely seem to indicate twinning, since weak spots
may be contaminated by neighbouring strong ones
Phil
On 14 Dec 2011, at 04:47, Stefan Gajewski wrote:
> I am looking at a highly unusual cr
If you have air in the packing that's worrysome. If symmetry mates don't make
crystal contacts you are in trouble.
Have you checked a simple selfrotation function in your currently favored space
group ?
Do you have sufficient data collected to start out in P1 or C2 ? Then I would
start there
Hi Stefan,
1)
just out of curiosity I wrote a tiny script using CCTBX that estimates
solvent content via bulk-solvent mask, and quickly run this script for all
PDB structures for which I could re-calculate the R-work within 5% from
published value. Also, this script extracted the solvent content v
I am looking at a highly unusual crystal lattice right now and can't figure out
what is going on, so I decided to ask the experts.
I recently got data on a oligomeric protein with many highly correlated NCS
units (4.0A resolution, linear R-sym is 0.16-0.21 in I4, I422, F222, C2 and
0.12 in P1)
