Table 1.

Data Collection and Refinement Statistics^a

data collection
beamline	SSRL BL 9-2
wavelength	0.97946 Å
space group	P6122
cell dimensions	a = b = 113.78 Å, c = 397.34 Å, α = β = 90°, γ = 120°
resolution	35–2.8 Å
mosaicity	0.51°
total observations	291 439
unique reflections	35 710
completeness	92.1% (87.5)
redundancy	8.1 (5.4)
I/σI	14.0 (2.1)
Rmergeb	0.174 (0. 501)
Rpimc	0.065 (0. 220)
	Refinement
resolution	35–2.8 Å
no. of reflections used in reflnement	33909 (Rfree = 1801)
Rwork,d Rfreee	0.197, 0.251
total number of atoms	8006
protein	7750
Water	79
carbohydrate atoms	137
ligands	17 × 2PYR, 5 SO4
average B	all atoms 43.0 Å2, main chain 41.7 Å2, side chain 42.6 Å2, carbohydrate 86.4 Å2, water 32.9 Å2, ligand 74.8 Å2
Wilson B	65.1 Å2
B rmsd	bonded main chain 0.66 Å2, bonded side chain 2.41 Å2, nonbonded main chain 1.36 Å2, nonbonded side chain 4.14 Å2
rmsd from ideal geometry	bond lengths 0.018 Å, bond angles 1.88°
	Ramachandran Plot
most favored region	87.4%
allowed region	12.5%
generously allowed region	0.1% (D240β2)

^aValues in parentheses refer to the high-resolution shell, 2.9–2.8 Å.

^bR_merge = Σ_hklΣ|I_j(hkl) − 〈I(hkl)〉|/Σ_hklΣ_j jI(hkl) with I_j(hkl) representing the intensity of measurement j and 〈I(hkl)〉 is the mean of measurements for the reflection hkl.

^cR_pim = Σ_hkl[1/(N − 1)]^1/2Σ_j|I_j(hkl) − 〈I(hkl)〉|/Σ_hklΣ_j jI(hkl) with N representing the redundancy.¹⁵

^dR_work = Σ_hkl||F_obs(hkl)| − |F_calc(hkl)||/Σ_hkl|F_obs(hkl)|, where F_obs and F_calc are the observed and calculated structure factors, respectively.

^eR_free is calculated with the formula for R_work with 5% of the structure factors that were not included in the model refinement.