Table 2. Summary of refinement statistics for PfQS.

Resolution (Å)	50–2.8
Total No. of non-H atoms	2274
No. of protein atoms	2272
No. of Cl− ions	2
No. of reflections in refinement	11117
No. of reflections in test set	531
R factor† (%)	20.8
R free ‡ (%)	27.0
Average B factors (Å2)
Protein main chain	38.6
Protein side chain	39.8
Cl− ions	32.6
R.m.s. deviations from ideal geometry
Bonds (Å)	0.005
Angles (°)	0.847
Ramachandran plot
Most favored regions (%)	90.3
Additional allowed regions (%)	9.7
Disallowed regions (%)	0.0

^† R factor = , where F _obs and F _calc are the observed and calculated structure factors, respectively.

^‡For R _free the sum is extended over a subset of reflections (10%) excluded from all stages of refinement.