Table S3.

X-ray refinement statistics

Resolution range, Å	51.3–3.0 (3.04–3.0)
No. of reflections working	61,698 (2,562)
No. of reflections test	3,292 (125)
Rw, %*	21.8 (29.5)
Rfree, %†	27.0 (38.8)
Rms deviation bond length, Å	0.005
Rms deviation bond angle, °	1.0
B factors
Protein atoms	73.2
Ligand atoms	69.4
Ramachandran plot, %
Most favored	96.8
Additionally allowed	3.0
Generously allowed	0.2
Disallowed	0
No. of protein atoms	21,874
No. of ligand atoms	108
No. of solvent atoms	0

Values in parentheses are for the highest resolution shell.

^*R_w = Σ || Fo | − | Fc ||/Σ | Fo |.

^†R_free = Σ || Fo | − | Fc ||/Σ | Fo |.