Table 3.

Refinement statistics AChE

Data set	A	B	C	D	E	F	G	H	I
R factor, %	21.6	21.4	21.2	20.3	19.9	19.8	19.4	19.9	19.1
Rfree, %	22.9	23.0	22.7	22.0	21.6	21.9	22.3	22.6	21.6
No. protein atoms	4,239	4,239	4,239	4,239	4,239	4,239	4,239	4,239	4,239
No. solvent molecules	333	320	314	335	325	297	293	284	260
Average B factor, Å2	30.5	33.9	39.1	41.1	43.9	46.1	46.4	43.0	46.1
rmsd bond length, Å	0.007	0.007	0.007	0.008	0.008	0.008	0.009	0.008	0.009
rmsd bond angle, °	1.4	1.4	1.4	1.4	1.4	1.4	1.4	1.4	1.4

rmsd, rms deviation.