Table 3. Data collection and processing.

Values in parentheses are for the outer shell.

Diffraction source	ALBA synchrotron
Wavelength ()	0.9795
Temperature (K)	100
Detector	Pilatus 6M
Crystal-to-detector distance (mm)	258.67
Rotation range per image ()	0.1
Total rotation range ()	120
Exposure time per image (s)	0.1
Space group	P1211
a, b, c ()	48.04, 50.88, 63.02
, , ()	90, 110.19, 90
Mosaicity ()	0.865
Resolution range ()	45.091.56 (1.6151.559)
Total No. of reflections	87304 (7888)
No. of unique reflections	36978 (3587)
Completeness† (%)	90.50 (85.63)
Multiplicity	2.3 (2.2)
I/(I)‡	12.14 (1.77)
R meas §	0.05
Overall B factor from Wilson plot (2)	17.07

^†The cystal orientation and morphology did not allow complete data collection.

^‡Themean I/(I) in the outer shell is 2.0 at 1.6 resolution.

^§ R _meas = , where I _i(hkl) are the observed intensities, I(hkl) is the average intensity and N(hkl) is the multiplicity of reflection hkl.