Table 1. Statistics of mPERK KD structure determination and refinement.

Values in parentheses are for the highest resolution shell.

Data collection
Space group	P41212
Unit-cell parameters (Å, °)	a = b = 97.89, c = 116.71, α = β = γ = 90
Resolution (Å)	2.80 (2.85–2.80)
Rmerge	0.056 (0.675)
〈I/σ(I)〉	44.6 (2.3)
Completeness (%)	97.1 (78.5)
Multiplicity	7.3 (5.2)
Refinement
Resolution (Å)	44.6–2.80
No. of reflections	13283
Rwork/Rfree	0.272 (0.397)/0.328 (0.451)
No. of atoms
Protein	2267
Water	21
B factors (Å2)
Protein	93.52
Water	86.40
R.m.s. deviations
Bond lengths (Å)	0.007
Bond angles (°)	1.052