Table 1. Summary of X-ray diffraction data.

Values in parentheses are for the outermost resolution shell.

	Native α-DsbA1	SeMet α-DsbA1
Wavelength (Å)	1.5418	2.2909
Resolution range (Å)	50–2.01 (2.08–2.01)	50–2.45 (2.54–2.45)
Space group	C2	C2
Unit-cell parameters
a (Å)	71.4	71.1
b (Å)	49.5	49.7
c (Å)	69.3	69.2
β (°)	107.0	106.8
No. of observations	53805	43345
No. of unique reflections	15438 (1514)	15044 (1599)
Redundancy	3.5 (3.3)	2.9 (2.4)
Completeness (%)	99.3 (98.2)	90.4 (95.7)
Rmerge†	0.088 (0.236)	0.043 (0.097)
〈I/σ(I)〉	20.9 (5.6)	27.3 (7.5)

^† R _merge = , where I _i(hkl) is the scaled observed intensity of the ith symmetry-related observation of reflection hkl and is the average intensity.