Table 1 Data collection and processing statistics. Values in parentheses are for the outermost shell

Diffraction source

BESSY II BL 14.1

Wavelength (Å)

0.91842

Detector

PILATUS 6 M

Crystal-to-detector distance (mm)

180.8

Rotation range pr. Image (°)

0.1

Total rotation range (°)

200

Space group

P2₁2₁2₁

a, b, c (Å)

45.04, 68.43, 87.19

a, b, g (°)

90, 90, 90

Mosaicity (°)

0.05

Resolution range (Å)

45.04–1.00 (1.02–1.00)

Total No. of reflections

941,741 (15,841)

No. of unique reflections

143,241 (5490)

Completeness (%)

98.0 (77.7)

Multiplicity

6.6 (2.9)

 < I/s(I) > 

11.5 (1.5)

R_merge

0.077 (0.609)

Overall B factor from Wilson plot (Ų)

6.32