Dear Tommi,
You may want to try EVAL: www. cryst.chem.uu.nl/distr/eval
EVAL can deconvolute reflections from multiple lattices.
Best wishes
Loes
___________________________________________________________
Dr. Loes Kroon-Batenburg
Dept. of Crystal and Structural Chemistry
Bijvoet Center for Biomolecular Research
Utrecht University
Padualaan 8, 3584 CH Utrecht
The Netherlands
E-mail : [log in to unmask]
phone : +31-30-2532865
fax : +31-30-2533940
________________________________________
From: CCP4 bulletin board [[log in to unmask]] on behalf of Kajander, Tommi A [[log in to unmask]]
Sent: Monday, July 16, 2018 10:55 PM
To: [log in to unmask]
Subject: [ccp4bb] data processing with split/bad crystals
Dear All,
I was wondering what would be the best software nowadays to try to process data from crystal that clearly is split or
has a secondary set of lattice points (close, poor data) in the raw data - data can be processed with XDS (2.9-2.8 Å) but Rmerge tends to be
bit high at low resolution (close to 7-8% depending on processing) - using XSCALE helps with the radiation damage correction some what.
Data looks like primitive orthorombic but not quite sure (also seems like it has one screw axis e.g. P2212 - but oddly phaser finds
solutions in P22121 also or even preferably…..). I am wondering a bit if it isn’t actually monoclinic.
Based on automated processing by Diamond pipeline XDS seems most robust - but any hints on such cases would
be welcome. Of course we will try to get better crystal but so far no luck.
Thanks for comments,
Best
Tommi
---
Tommi Kajander, Ph.D.
Structural Biology and Biophysics
Institute of Biotechnology
University of Helsinki
Viikinkaari 1 (P.O. Box 65)
00014 Helsinki, Finland
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