Table 1. Data collection and refinement statistics.
Parameter | Value |
Data collection | |
Beam line | X06SA, SLS |
Wavelength (Å) | 1.0000 |
Space group | C2 |
Cell dimensions | |
a, b, c (Å) | 221.51, 127.55, 70.28 |
α, β, γ (°) | 90.00, 89.96, 90.00 |
Resolution (Å) | 45.0–3.0 (3.08–3.00)α |
R meas | 4.8 (46.0)α |
I/σI | 17.99 (2.68)α |
Completeness (%) | 99.1 (99.5)α |
Unique reflections | 38,868 (2,889)α |
Redundancy | 3.39 (3.38)α |
Wilson B (Å2) | 95.43 |
Refinement | |
Resolution (Å) | 43.5–3.0 |
R work/R free | 0.2149/0.2464 (0.3403/0.3962)α |
No. of atoms | 12,609 |
Protein | 12,420 |
Ligands | 189 |
B-factors (Å2) | |
Protein | 97.1 |
Benzamidine/AMP-PNP | 87.9/105.1 |
r.m.s.β deviations | |
Bond lengths (Å) | 0.005 |
Bond angles (°) | 0.918 |
Ramachandran plot | |
Most favored regions (%) | 95.7 |
Allowed regions (%) | 4.3 |
Disallowed regions (%) | 0.0 |
Values in parentheses are for highest resolution shell.
r.m.s., root mean square.