Table 1.
X-Ray Diffraction and Refinement Statistics
Data Collection | G12C-1 |
---|---|
Space group | P3 |
Cell dimensions | |
a, b, c (Å) | 84.93, 84.93, 130.79 |
α, β, γ (°) | 90.00, 90.00, 120.00 |
Resolution (Å) | 50.00–2.23 (2.27–2.23) |
Rsym or Rmerge | 0.183 (1.536) |
I/sI | 17.00 (1.33) |
Completeness (%) | 87.7 (48.0) |
Redundancy | 7.8 (5.0) |
Refinement | |
Resolution (Å) | 40.39–2.23 |
No. of reflections | 45,197 |
Rwork/Rfree | 0.189/0.230 |
No. of atoms | |
Protein | 8,082 |
Ligand/ion | 342 |
Water | 375 |
B factors | |
Protein | 42.10 |
Ligand/ion | 32.09 |
Water | 37.19 |
RMSD | |
Bond lengths (Å) | 0.002 |
Bond angles (°) | 0.596 |
RMSD, root-mean-square deviation.