TABLE 1.

Data collection and refinement statistics

	Se-Tse1	Tse1	Tse1-Tsi1 complex
Data collection
Space group	P212121	P212121	P3221
Cell dimensions
a, b, c	39.26, 65.03, 75.39 Å	38.45, 63.64, 73.74 Å	97.00, 97.00, 292.17 Å
α, β, γ	90, 90, 90°	90, 90, 90°	90, 90, 120°
	Peak
Wavelength	0.9795 Å	1.0000 Å	0.9788 Å
Resolutiona	29.85 to 2.10 Å (2.21 to 2.10 Å)	26.61 to 1.50 Å (1.58 to 1.50 Å)	63.61 to 2.50 Å (2.64 to 2.50 Å)
Unique reflections	12,563	29,544	56,166
Rmergeb	9.9% (24.0%)	8.2% (26.6%)	6.7 (38.7)
I/σI	22.2 (13.4)	14.6 (4.7)	21.6 (5.6)
Completeness	99.8% (99.8%)	99.4% (96.0%)	99.8% (99.4%)
Redundancy	14.4 (14.7)	6.7 (4.6)	9.2 (8.9)
Refinement
Resolution		26.61 to 1.50 Å	63.61 to 2.50 Å
No. of reflections		29,040	55,504
Rwork/Rfree		16.74/18.61%	20.71/25.71%
No. of atoms
Protein		1140	8905
Formate−		27
Water		264	341
B-factors
Protein		12.05 Å2	53.23 Å2
Formate		23.98 Å2
Water		25.04 Å2	43.47 Å2
Root mean square deviations
Bond lengths		0.0066 Å	0.0064 Å
Bond angles		1.014°	1.055°

^a Values in parentheses are for the data in the highest resolution shell.

^b R_merge = Σ|I_i − I_m|/Σ I_i, where I_i is the intensity of the measured reflection, and I_m is the mean intensity of all the symmetry-related reflections.