Table 1. Data-collection statistics.

Values in parentheses are for the high-resolution shell.

Crystal data
Space group	P4212
Unit-cell parameters
a (Å)	101.25
b (Å)	101.25
c (Å)	111.52
Data collection
Beamline	ID23.1 (ESRF)
Temperature (K)	100
Wavelength (Å)	0.979
Resolution (Å)	74.96–1.95 (2.06–1.95)
Data processing
Total reflections	455518 (73906)
Unique reflections	42919 (6140)
Multiplicity	10.6 (12.0)
Completeness (%)	100.0 (100.0)
I/σ(I)	7.6 (1.7)
Mean I/σ(I)	33.3 (7.1)
Rmerge† (%)	6.7 (45.7)
Rp.i.m.‡ (%)	2.2 (13.7)
Molecules per ASU	1
Matthews coefficient (Å3 Da−1)	2.75
Solvent content (%)	55.27

^† R _merge = , where I _i(hkl) is the ith measurement of reflection hkl and 〈I(hkl)〉 is the weighted mean of all measurements.

^‡ R _p.i.m. = , where N is the redundancy of reflection hkl.