Table 4.

Refinement statistics HEWL

Data set	A	B	C
R factor, %	14.1	14.5	14.6
Rfree, %	18.7	19.1	19.0
No. protein atoms	1,021	1,021	1,021
No. solvent molecules	184	184	184
No. heterogen atoms	3	3	3
Average B factor, Å2	16.9	16.4	17.5
rmsd bond length, Å	0.013	0.013	0.013
rmsd angle distance, Å	0.031	0.030	0.029

rmsd, rms deviation.