TABLE 1.
Data collection and processing | |
Beamline | LRL-CAT, Advanced Photon Source |
Wavelength (Å) | 0.97929 |
Space group | P1 |
Cell dimensions (Å, °) | a = 85.8, b = 85.8, c = 94.2, α = 77.3, β = 77.5, γ = 60.1 |
Molecules/asymmetric unit | 6 |
Resolution (Å) | 31.2-2.3 (2.42-2.30) |
Observed reflections | 368,548 |
Unique reflections | 96,811 |
Mean Rmerge (last shell) | 0.127 (0.528) |
Mean redundancy | 3.8 |
Completeness (%) (last shell) | 97.2 (96.4) |
Mean I/σ(I) (last shell) | 7.1 (2.1) |
Structure refinement | |
Rwork | 0.241 |
Rfree | 0.297 |
Ramachandran plot (%) | |
Most favored regions | 90.9 |
Disallowed regions | 0.0 |
Amino acid residues | 1693 |
rmsda bond length (Å) | 0.009 |
rmsd angle (°) | 1.256 |
Mean B value protein/ADP per Mg per solvent (Å2) | 37.5/30.4/26.1/33.8 |
Nucleotides | 6 |
Magnesium ions | 19 |
a rmsd, root mean square deviation.