TABLE 3.

Crystallography data for the triple mutant KKF

Wavelength (Å)	1.000
Space group	P212121
Unit cell parameters (Å)	a = 66.8, b = 75.4, c = 339.9
Resolution (Å)	50.0 to 2.9
No. of reflections (unique/total)	34,440 (184,929)
Completeness (%) (last shell)	88.5 (45.3)
Rmerge (%)	8.6 (29.8)
No. of molecules in a.u.	4
No. of protein atoms	10,252
No. of solvent molecules	40
No. of heteroatoms	32
Rcryst	19.6%
Rfree (10% of data)	25.7%
Root mean square deviations from ideality
Bond lengths	0.009 Å
Bond angles	1.18°