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Category phasing_mir_der_site
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Category Description
Data items in the PHASING_MIR_DER_SITE category record details
about the heavy-atom sites in an MIR phasing experiment.
This list may contain information from a number of different
derivatives; _phasing_MIR_der_site.der_id indicates to which
derivative a given record corresponds. (A derivative in this
context does not necessarily equate with a data set; see the
definition of the PHASING_MIR_DER category for a more
thorough discussion of the meaning of derivative.)
Category Examples
Example 1:
Example 1 - based on a paper by Zanotti et al. [(1993). J. Biol. Chem.
268, 10728-10738].
with occupancies converted from electrons to fractional
loop_
_phasing_MIR_der_site.der_id
_phasing_MIR_der_site.id
_phasing_MIR_der_site.atom_type_symbol
_phasing_MIR_der_site.occupancy
_phasing_MIR_der_site.fract_x
_phasing_MIR_der_site.fract_y
_phasing_MIR_der_site.fract_z
_phasing_MIR_der_site.B_iso
KAu(CN)2 1 Au 0.40 0.082 0.266 0.615 33.0
KAu(CN)2 2 Au 0.03 0.607 0.217 0.816 25.9
KAu(CN)2 3 Au 0.02 0.263 0.782 0.906 15.7
K2HgI4 1 Hg 0.63 0.048 0.286 0.636 33.7
K2HgI4 2 Hg 0.34 0.913 0.768 0.889 36.7
K2HgI4 3 Hg 0.23 0.974 0.455 0.974 24.2
K2HgI4 4 Hg 0.28 0.903 0.836 0.859 14.7
K2HgI4 5 Hg 0.07 0.489 0.200 0.885 6.4
K2HgI4 6 Hg 0.07 0.162 0.799 0.889 32.9
K3IrCl6 1 Ir 0.26 0.209 0.739 0.758 40.8
K3IrCl6 2 Ir 0.05 0.279 0.613 0.752 24.9
Key Category Items
Items in Category phasing_mir_der_site
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at the
Resource Collaboratory for Structural Bioinformatics
Rutgers University, Department of Chemistry
New Brunswick, New Jersey
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