Table 2. Structure refinement and validation.

Values in parentheses are for the highest resolution shell.

Rwork†	16.1 (21.9)
Rfree‡	21.9 (30.1)
Total No. of reflections	64552
No. of reflections in the Rwork set	61345 (3900)
No. of reflections in the Rfree set	3207 (220)
No. of non-H atoms	11947
No. of protein atoms	11348
No. of ligand atoms	17
No. of solvent atoms	582
R.m.s.d. from ideality
Bonds (Å)	0.017
Angles (°)	1.7
Average B factors (Å2)
Main chain	39.6
Side chain	41.5
Ligands	49.4
Solvent	44.7
Ramachandran plot
Allowed regions (%)	99.8
Disallowed regions (%)	0.2
PDB code	2w0q

^† R factor = , where |F _o| is the observed structure-factor amplitude and |F _o| is the calculated structure-factor amplitude.

^‡ R _free is the R factor based on 5% of the data excluded from refinement.