Dear Rafal et al,
With some help from Kay I think that I could find out what is happening
here. SHELXT finds the space group Ibca and solves the structure easily
with default parameters but has difficulty in assigning the elements
because it was not expecting arsenic (!). The data are not very good but
it appears to be a cacodylate with five molecules in the asymmetric unit
and an unknown cation (K gave the best results). I could not find the
structure in the COD. I will send you the atom coordinates in a separate
file but the data would never get through CIFCheck (which you would need
to publish it in Acta E.).
Best wishes, George
On 20.04.2018 15:30, Rafal Dolot wrote:
Dear CCP4BB,
I've recently collected data for 11mer build of DNA (9xG, 2xT). XDS,
and DIALS gave me similar solution - SG: I2(1)2(1)2(1) or I222, with
cell dimension 20.65, 22.96, 43.37, 90, 90, 90, what is too small for
this size of the molecule. 11mer is rich in G, so we expect the
G-tetraplex formation. Data were collected to almost 1 A, so it should
be enough for trials with direct methods/ab initio solution. What I
should do first to find correct SG and/or cell parameters?
Best regards,
Rafal
--
Prof. George M. Sheldrick FRS
Dept. Structural Chemistry,
University of Goettingen,
Tammannstr. 4,
D37077 Goettingen, Germany
Tel. +49-551-39-33021 or -33068
Fax. +49-551-39-22582
