Table 1 Crystallographic data statistics

MMC is the data collected from a crystal soaked in 5 mM mercury methyl chloride soaked for 1 h.

Resolution (Å)*86.71–3.00 (3.17–3.00)71.43–3.33 (3.51–3.33)
Rmerge0.151 (0.609)0.115 (0.434)
Mean [(I)/sd(I)]16.8 (3.3)14.3 (3.5)
Completeness (%)100.0 (100.0)100.0 (100.0)
Multiplicity10.7 (10.9)7.1 (7.2)
R-factor (R-free)0.188 (0.204)
rmsd bond (Å)0.011
rmsd angle (Å)1.815
Ramachandran96.4% (allowed)
  • * The high-resolution range and the parameter values for this range are given in parentheses in this Table.

  • Rmergehkl Σi|Ii−|/Σhkl Σι Ii, where Ii is the intensity of the ith observation, is the mean intensity of the reflection, and the summations extend over all unique reflections (hkl) and all equivalents (i), respectively.

  • R-factor=Σhkl|FoFc|/Σhkl Fo, where Fo and Fc represent the observed and calculated structure factors respectively. The R-factor is calculated using 95% of the data included in refinement and R-free is the 5% excluded.