I second Bernhard’s frustration with this, and have dealt with this many
times. I note that SHELX uses an occupancy-based clash criterion that
will not generate a clash for atoms whose occupancies sum to <1.1. It
seems to me that this could be a more generally adopted criterion.
Furthermore, it w
Oxidation of cysteine.
- - - - - - - - - - - - - - - -
Dr Antony W Oliver
Senior Research Fellow
CR-UK DNA Repair Enzymes Group
Genome Damage and Stability Centre
Science Park Road
University of Sussex
Falmer, Brighton, BN1 9RQ
United Kingdom
http://www.sussex.ac.uk/lifesci/oliverlab
http://tinyu
Dear Dhaval,
Cysteine 101 may have alternate conformations, but may also be (partly)
oxidized (SO?). Cysteine 156 looks (partly) oxidized (SH -> SO3?). The proof of
the pudding is the eating! Just fit the different possibilities, refine them
and look at the electron density maps. If the modific
HI Folks
OK, so it seems that I have poked the proverbial hornet's nest with this one
:o) has triggered some interesting discussions though.
Actually the thing which triggered this question was very simple and is Phil's
Case #3 below - true symm = p212121 but "b" axis axial reflections not obse
