Table 2.

Data Collection And Refinement Statistics

	SeMeta			Nativeb
A. Diffraction data
	Peak	Inflection	Remote
Space group	P4	P4	P4	P 41 21 2
Cell dimensions
a, b, c (Å)	a=b=96.711	a=b=96.711	a=b=96.736	a=b=96.235
	c=37.970	c=37.978	c=37.978	c=37.614
α, β, γ(°)	α=β=γ=90	α=β=γ=90	α=β=γ=90	α=β=γ=90
Wavelength (Å)	0.97826	0.97862	0.91837	0.97945
Resolution range (Å)	50-2.60	50-2.60	50-2.60	50-2.16
Total reflections	208216	194405	2129366	121797
Unique reflections	11301	11285	11311	9985
Rmerge (%)	12.2 (36.5)	11.0 (35.9)	11.3 (36.8)	6.1 (21.3)
I/σ(I)	23.9 (5.8)	25.6 (5.2)	24.7 (5.4)	38.5 (5.6)
Completeness (%)	98.6 (90.3)	98.2 (88.6)	98.3 (89.6)	99.4 (96.1)
Redundancy	18.8 (14.6)	9.3 (7.0)	19 (15.5)	6.8 (2.6)
	highest resolution shell=2.64-2.60			highest resolution shell=2.24-2.16
B. Refinement statistics
Resolution range (Å)				30.43-2.16
Rwork				0.223
Rfree				0.267
Stereochemistry
Ramachandran outlier residues (%)				0.7
Ramachandran favored residues (%)				93.3
Number of atoms
Protein				1333
Water				51
Ligand				25
B factors (Å)
Protein				51.5
Water				47.0
Ligand				88.8
RMSD from ideal values
Bond lengths (Å)				0.007
Bond angles (°)				0.990
Residues not modeled				1-3(MSA)

Numbers in parentheses represent values in the highest-resolution shell

^aUsed for phasing and initial model building.

^bUsed for structure refinement after molecular replacement with initial model from MAD data.