TABLE 1.

Data collection and structural refinement statistics^a

Parameter	HPyV6 VP1	HPyV7 VP1
Space group	C2	C2
Unit cell dimensions
a, b, c (Å)	183.9, 89.4, 125.3	209.7, 86.4, 84.2
α, β, γ (°)	90.0, 131.3, 90.0	90.0, 92.1, 90.0
Data collection
Resolution (Å)	30.0–1.8 (1.85–1.80)	30.0–1.70 (1.75–1.70)
No. of unique reflections	140,450 (10,046)	161,009 (9,962)
Redundancy	4.1 (4.1)	3.9 (3.9)
Rmeas (%)	7.0 (56.8)	6.7 (55.9)
I/σ	14.8 (2.8)	15.7 (2.4)
CC1/2 (%)	99.8 (84.7)	99.9 (75.4)
Completeness (%)	99.2 (96.4)	97.8 (82.1)
Wilson B-factor (Å2)	28.9	26.0
Refinement
Rwork/Rfree (%)	14.8/17.4	16.9/19.6
No. of atoms
Protein	10,171	9,856
Water	1,070	990
Average B-factor (Å2)
Protein	28.7	24.8
Water	34.2	29.0
RMSDs
Bond lengths (Å)	0.009	0.010
Bond angles (°)	1.381	1.391
Ramachandran plot (calculated using MolProbity Server)
Favored (%)	95.9	97.5
Allowed (%)	4.1	2.4
Outliers (%)	0.0	0.1

^aValues for the highest-resolution bin are given in parentheses. CC_1/2, correlation between intensities from random half-data sets. $R_{\mathrm{\text{meas}}}=\frac{{\Sigma }_{hkl}\hspace{0.17em}\sqrt{\frac{n}{n-1}}\hspace{0.17em}{\Sigma }_{j=1}^n|\hspace{0.17em}{I}_{hkl,j}-<I_{hkl,j}>|}{{\Sigma }_{hkl}\hspace{0.17em}{\Sigma }_j^n\hspace{0.17em}{I}_{hkl,j}}$, where n is the number of observations of the reflection and <I_hkl,j> the intensity of symmetry (or Friedel)-related observations. $R_{\mathrm{\text{work}}}=\frac{{\Sigma }_{hkl}\left|F_{obs}\left(hkl\right)-F_{\mathit{\text{calc}}}\left(hkl\right)\right|}{{\Sigma }_{hkl}\hspace{0.17em}{F}_{obs}\left(hkl\right)}$, where F_obs and F_calc are the observed and calculated structure factors, respectively. A total of 5% of the reflections were not used during structure refinement to calculate R_free.