Table S1.
X-ray data collection and refinement statistics
Statistic | Value | |
Data collection | ||
Space group | P65 | |
Cell dimensions | ||
a, b, c, Å | 78.92, 78.92, 139.40 | |
α, β, γ, ° | 90.00, 90.00, 120.00 | |
Resolution, Å | 50.00–2.30 (2.38–2.30)* | |
Rsym | 0.118 (0.481) | |
Avg. I/σI | 29.1 (7.0) | |
Completeness, % | 96.2 (100.0) | |
Redundancy | 12.3 (12.6) | |
Wilson B-factor, Å2 | 21.8 | |
Refinement | ||
Resolution, Å | 39.47–2.30 (2.42–2.30) | |
No. of reflections | 20,828 (3,014) | |
Rwork | 0.157 (0.170) | |
Rfree† | 0.201 (0.220) | |
No. of atoms‡ | ||
Protein | 2,882 | |
Water | 245 | |
Avg. B-factors‡,§, Å2 | ||
Protein | 25.0 | |
Water | 27.6 | |
rmsd | ||
Bond lengths, Å | 0.003 | |
Bond angles, ° | 0.769 | |
Ramachandran distribution, % | ||
Favored | 98.1 | |
Allowed | 1.9 | |
Disallowed | 0.0 |
Statistics for the highest-resolution shell are shown in parentheses.
Rfree was determined from the 5% of reflections excluded from refinement.
Riding hydrogens were not included in the number of atoms or average B-factors.
Equivalent isotropic B-factors were calculated in conjunction with TLS-derived anisotropic B-factors.