Skip to main content
. Author manuscript; available in PMC: 2021 Sep 27.
Published in final edited form as: Structure. 2017 Aug 3;25(9):1442–1448.e3. doi: 10.1016/j.str.2017.07.003

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.