TABLE 1.

Data collection and refinement statistics for H15 HA apo and receptor analog complex

Parameter	Value fora:
	Apo	3'-SLN
Data collection statistics
Beamline	APS-23	APS-23
Wavelength (Å)	1.0332	1.0332
Space group	P3	P3
Unit cell (Å)	a = b = 115.9; c = 128.4	a = b = 116.6; c = 129.1
Resolution (Å)	50.00–3.10 (3.15–3.10)	50.00–2.75 (2.80–2.75)
No. of observations	143,348	132,482
No. of unique reflections	34,747 (1,596)	49,813 (2,489)
Completeness (%)	98.7 (90.7)	97.4 (99.3)
I/σ(I)	9.1 (1.7)	10.8 (1.7)
CC1/2b	0.94 (0.89)	0.87 (0.52)
Rsymc	0.18 (0.44)	0.14 (0.99)
Rpimd	0.08 (0.23)	0.08 (0.58)
Redundancy	4.1 (3.1)	2.7 (2.6)
Refinement statistics
Resolution (Å)	50.00–3.10 (3.15–3.10)	50.00–2.75 (2.80–2.75)
No. of reflections	34,651	49,791
Rcryste/Rfreef	0.221/0.263	0.222/0.275
No. of atoms
Protein	7,788	7,736
Carbohydrate	84	162
Water		105
Wilson B (Å2)	46	43
Avg B value (Å2)
Overall	48	46
Water		44
Ligand		72
RMSDg from ideal geometry
Bond length (Å)	0.014	0.014
Bond angle (°)	2.2	1.9
Ramachandran plot (%)h
Favored	96.8	95.5
Outliers	0.2	0.2
PDB ID	5TG8	5TG9

^aValues in parentheses are the outer shell statistics.

^bCC_1/2 is the Pearson correlation coefficient between two random half data sets.

^cR_sym = Σ_hkl Σ_i | I_hkl,i − 〈I_hkl〉 |/Σ_hkl Σ_i I_hkl,i, where I_hkl,i is the scaled intensity of the ith measurement of reflection h, k, l, and 〈I_hkl〉 is the average intensity for that reflection.

^dR_pim = Σ_hkl [1/(n − 1)]^1/2 Σ_i | I_hkl,i − 〈I_hkl〉 |/Σ_hkl Σ_i I_hkl,i, where n is the redundancy.

^eR_cryst = Σ_hkl | F_o − F_c |/Σ_hkl | F_o | × 100, where F_o and F_c are the observed and calculated structure factors, respectively.

^fR_free was calculated as for R_cryst, but on a test set of 5% of the data excluded from refinement.

^gRMSD, root mean square deviation.

^hCalculated using MolProbity (62).