Table 3 X-ray diffraction data collection and atomic refinement statistics for Mt-DsbA in its reduced form

No of monomers per AS unit

2

Unit cell dimensions (Å)

71.0 × 76.7 × 86.9

pH of crystallization condition

7.4

Data set

Wavelength (Å)

0.976

Resolution range (Å)

44.70-1.90

Unique reflections (total)

38372 (706287)

Completeness (%)^¶

99.96 (100)

Redundancy

10.7 (10.6)

R_merge ^¶,a

7.4 (39.3)

I/σ^¶

5.8 (1.9)

Model refinement

Resolution range (Å)

44.70-1.90

No. of reflections (working/free)

36450/1922

Residues of Mt-DsbA

Chain A 56-255

Chain B 49-255

No. of protein atoms

5975

No. of water molecules

300

R _work/R _free ^b, %

20.2/23.8

Ramachandran plot

Most favorable region (%)

97.30

Additional allowed region (%)

2.21

Disallowed region (%)

0.49

PDB ID code

4IHU