Table 1. Data collection, phasing, and refinement statistics.

	Remote	Edge	Peak
Data collection and phasing
Wavelength, Å	1.2565	1.2832	1.2825
Resolution, Å	2.0	2.0	2.0
No. of total reflections	497,657	364,430	299,731
No. of unique reflections*	97,852	97,565	96,091
Completeness, %
Overall	100.0	99.9	98.5
Outer 0.1-Å shell	100.0	99.9	93.1
Rmerge†
Overall	0.059	0.060	0.055
Outer 0.1-Å shell	0.329	0.342	0.269
Mean figure of merit for MAD phasing‡		0.633
Refinement statistics
No. of reflections, working set/testing set		92,811/4,815
Data cutoff, σ		0.0
R/Rfree§		0.199/0.211
No. of protein atoms		4,316
No. of zinc ions		7
No. of ligand atoms		32
No. of water molecules		309
rms deviations
Bond lengths, Å		0.006
Bond angles, °		1.3
Proper dihedral angles, °		23.5
Improper dihedral angles, °		0.7

^*Friedel mates are treated as unique reflections for data reduction in MAD experiments

^†R_merge = , where I is the observed intensity and is the average intensity calculated for replicate data

^‡Mean figure of merit = , where Δα_i is the error in the phase angle for reflection i, and n is the number of reflections

^§R = , where and are the observed and calculated structure factor amplitudes, respectively. R_free is calculated in the same manner for reflections in the test set excluded from refinement