MR indicates phasing using molecular replacement. Br-SAD and Se-SAD respectively indicate phasing performed using single wavelength anomalous dispersion of bromine or selenium. ASU stands for asymmetr
aValues for the highest resolution shell in parentheses. bRobs = ∑|Ij− |/∑ Ij , where Ij is the measured intensity of reflection j, and is the mean intensity of symmetry-related reflections. cTe
aValues in parentheses correspond to the highest-resolution shell.bRsym = ∑hkl∑i|Ii(hkl)-I(hkl)>|/∑hkl∑iIi(hkl).cR-factor = ∑hkl||Fo(hkl)|-|Fc(hkl)||/∑hkl|Fo(hkl)|. Rfree is the R-factor calculated fo
a Values in parenthesis are given for the highest resolution shell b Rmerge = ∑hkl∑j│Ihkl, j-hkl>│/ ∑hkl∑j Ihkl, j c Rwork = ∑work-set│Fobs-Fcal│/ ∑work-set Fobs d Rfree = ∑test-set |Fobs-Fcal|/ ∑test
