Table 2.

Refinement statistics

Statistic	Value
R	0.183
Rfree	0.213
No. of molecules in the a.s.u.	2
No. of atoms	8063
No. of water molecules	259
Data/parameter ratio	2.8
Coordinate rmsd bonds	0.016 Å
Coordinate rmsd angles	1.87°
B-factor rmsd bonds (main chain)	2.4 Å2
B-factor rmsd bonds (side chain)	3.8 Å2
B-factor rmsd angles (main chain)	3.0 Å2
B-factor rmsd angles (side chain)	5.0 Å2
Average B-factor (main chain)	23.4 Å2
Average B-factor (side chain)	26.9 Å2
Average B-factor (water)	29.6 Å2

a.s.u., asymmetric unit; rmsd, rms deviation.