Table 1.

Data Collection and Refinement Statistics

Data Collection	KI Derivative	Native (APS)
Space group	P 63	P 63
Wavelength	1.54 (home source)	0.979 (19-BM)
Resolution range	29.38–2.34	25.84–1.69
Unit cell dimensions
a, b, c (Å)	89.74, 89.74, 31.36	89.52, 89.52, 31.39
α, β, γ (°)	90, 90, 120	90, 90, 120
No. of total reflections	67,505	119,377
No. of unique reflections	6,255	16,355
Multiplicity	10.8(9.7)	7.3 (7.2)
Completeness (%)	98.9 (95.6)	99.9(100)
Mean L/σI	16.2 (3.2)	14.3(2.3)
Wilson B factor	32.14	26.76
Rmerge	0.125(0.728)	0.057 (0.824)
Rmeas	0.131 (0.768)	0.062 (0.888)
Rpim	0.039 (0.242)	0.023 (0.328)
CC½	0.998 (0.847)	0.999(0.810)
Refinement
Rwork (%)		17.87
Rfree (%)		21.26
RMSD
Bond lengths (Å)		0.01
Bond angles (°)		1.05
Ramachandran analysis (%)
Favored		96.1
Rotamer outliers (%)		0
Clashscore		1.01
Average B factor		36.8