TABLE 1.

Statistics of crystallographic data collection and refinement

Values in parentheses refer to the highest resolution shell. r.m.s., root mean square.

Data collection
Space group	C2
Unit cell parameters	a = 114.5, b = 44.3, c = 86.0 Å; β = 127.8°
Wavelength (Å)	1.0000
Resolution (Å)	1.85 (1.92–1.85)
No. of reflections	124,475
No. of unique reflections	28591
I/σ(I)	19.9 (3.2)
Data completeness (%)	97.6 (85.7)
Redundancy	4.4 (3.3)
Rsym (%)a	6.4 (32.3)
Structure refinement
Rfactor (%)	19.1
Rfree (%)b	23.8
r.m.s. bond lengths (Å)	0.026
r.m.s. bond angles	2.104°

^a R_sym = Σ_hkl|I_hkl − 〈I_hkl〉|/Σ_hklI_hkl.

^b R_free = free R_factor based on random 5% of all data.