Table 1. Data-collection statistics and processing parameters for crystal forms A and B .

Values in parentheses are for the outermost resolution shell.

Crystal form	A	B
Beamline	Rotating Cu anode	CHESS F1
Detector	R-AXIS IV++	ADSC Q270 CCD
Crystal-to-detector distance (mm)	150	150
Wavelength (Å)	1.518	0.9177
Temperature (K)	100	100
Resolution range (Å)	20.00–2.90 (3.00–2.90)	20.00–3.00 (3.11–3.00)
Space group	P212121	P21212
Unit-cell parameters (Å)	a = 81.9, b = 84.9, c = 124.2	a = 69.9, b = 77.7, c = 88.5
No. of measured reflections	19275	20439
No. of unique reflections	18118	7679
Multiplicity	2.7 (2.5)	2.7 (2.7)
Completeness (%)	95.0 (90.6)	76.1 (81.5)
Mean I/σ(I)	13.8 (3.2)	24.5 (12.3)
R merge † (%)	11.8 (37.9)	7.6 (12.6)
V M (Å3 Da−1)	2.23	2.48

^† R _merge is defined as × 100, where I _i(hkl) is the intensity of an individual reflection and 〈I(hkl)〉 is the average intensity for this reflection; the summation is over all intensities.