Table 1.

Crystallographic statistics

	12A-9
Diffraction data
Space group	P21212
Unit cell (Å) (a,b,c)	38.27,68.32,39.51
Resolution (Å) (outer shell)	34.2–2.1 (2.15–2.1)
Wavelength (Å)	1.000
Measured reflections	43,653
Unique reflections	6048
Multiplicity	7.2 (6.3)
Completeness (%) (outer shell)	98.6 (100)
I/σ (I) (outer shell)	15.2 (2.0)
χ2 (outer shell)	1.03 (0.97)
Rmerge (%)	12.6
Refinement
Resolution range (Å)	34.2–2.10
R % (outer shell)	21.7 (29.5)
Rfree % (outer shell)	28.0 (39.9)
RMS deviations:
Bond length (Å)	0.012
Bond angles (deg.)	1.494
Average B values (Å2)	49.9