Table 1.

Data collection

Data set	Resolution, Å	Reflections measured/unique	Completeness, %, overall/outer shell	Rmerge* overall/outer shell	Riso†	No. of sites‡	Phasing power§	Overall figure of merit (3.0 Å)
Native sEH	2.8	304,577/32,278	99.0/96.7	0.070/0.357	—	—	—
sEH–CPU complex	2.8	73,807/24,877	80.1/42.8	0.096/0.345	—	—	—
K2UOF6	3.0	69,813/24,494	89.9/84.9	0.060/0.089	0.195	2	1.05
Samarium(III) acetate	3.5	43,302/15,970	91.4/89.6	0.104/0.310	0.252	2	0.85
Trimethyl-lead acetate, 1-week soak	3.1	96,185/20,906	83.3/84.1	0.104/0.440	0.198	2	0.84
Trimethyl-lead acetate, 1-day soak	2.9	77,792/24,930	80.7/76.0	0.063/0.290	0.109	2	0.80
Mercuric acetate	2.9	84,495/28,967	96.8/91.3	0.078/0.353	0.226	2	0.54
K2Pt(CNS)6	3.4	52,353/17,253	90.5/89.1	0.112/0.322	0.240	4	0.38
								0.468

^*R_merge = Σ|I_i − 〈I_i〉|/Σ| 〈I_i〉 |, where I_i is the intensity measurement for reflection i, and 〈I_i〉 is the mean intensity calculated for reflection i from replicate data. 

^†R_iso = Σ||F_PH| − |F_P||, where F_PH and F_P are the derivative and native structure factors, respectively. 

^‡Per monomer. 

^§Phasing power = 〈F_H〉/E where 〈F_H〉 is the root-mean-square heavy-atom structure factor and E is the residual lack of closure error.