Table 2.

Data collection and refinement statistics

Data set	Native	Me Hg NO3
		1	2
Reflections
Max. resolution, Å	2.0	2.7	2.3
Observed/unique	124,328/30,040	58,379/12,520	92,414/20,358
Rsym,* % (all data/last shell)	5.7/19.3	11.4/24.9	7.9/21.4
Completeness, % (all data/last shell)	96/84	96/97	96/94
I/σI (last shell)	5.4	3.9	3.7
Refinement
Rcryst/Rfree,† % (all data in 8.0–2.0 Å range)	18.4/23.5
Resolution, Å	8.0–2.0
rms deviation bond lengths, Å	0.011
rms deviation bond angles	1.6°

^*

 

^†