TABLE 1.

Refinement statistics

Parameter	Valuea
Space group	P1
Cell parameters (a, b, c, α, β, γ)	103.2 Å, 129.9 Å, 144.0 Å, 93.8°, 105.1°, 98.2°
Resolution range	30.0-2.34 Å (2.47-2.34 Å)
No. of reflections used in refinementb	281,587 (32,494)
No. of reflections used for R-free	1,385 (119)
R-factorc	0.210 (0.26)
R-free	0.271 (0.34)
No. of protein/sulfate/water atoms	38,161/60/3,003
Avg B protein/sulfate/water	37.2 Å2/60.4 Å2/37.2 Å2
Ramachandran statisticsd	91.0%/8.5%/0.4%/0.1%
RMSDe (bonds/angles)	0.014 Å/1.4°

^aValues in parentheses are for the highest-resolution bin, where applicable.

^bNo sigma cutoff or other restrictions were used for inclusion of observed reflections.

^cR = Σ‖F_obs(hkl)| − |F_calc(hkl)‖/Σ|F_obs(hkl)|.

^dAccording to the program PROCHECK (24). The percentages are indicative of residues in the most favored, additionally allowed, generously allowed, and disallowed regions of the Ramachandran plot, respectively.

^eEstimates provided by the program REFMAC (27).