Table 4. Structure solution and refinement of lsBSH.

Values in parentheses are for the outer shell.

PDB code	5hke
Resolution range (Å)	45.50–1.90 (1.97–1.90)
Completeness (%)	99.20 (91.47)
σ Cutoff	2.0
No. of reflections, working set	52091 (2619)
No. of reflections, test set	2619 (213)
Final R cryst	0.152 (0.194)
Final R free	0.185 (0.218)
No. of non-H atoms
Protein	5132
Ligand	20
Water	400
Total	5552
R.m.s. deviations
Bonds (Å)	0.020
Angles (°)	1.877
Average B factors (Å2)
Overall	19.8
Protein	19.7
Water	24.9
Ramachandran plot
Most favoured (%)	97.6
Allowed (%)	2.2
Disallowed (%)	0.2