Skip to main content
. Author manuscript; available in PMC: 2012 Feb 1.
Published in final edited form as: Nat Struct Mol Biol. 2011 Jul 10;18(8):908–914. doi: 10.1038/nsmb.2088

Table 1.

Data collection and refinement statistics

1.95 Å Native 2.2 Å Selenate SAD
Data collection
Space group P21 P21
Cell dimensions
a, b, c (Å) 59.50, 66.97, 91.83 59.47, 66.85, 91.97
 α, β, γ (°) 90, 108.055, 90 90, 108.103, 90
Resolution (Å) 20.0–1.95 (2.05–1.95) 20.0–2.2 (2.30–2.20)
Rmerge 0.069 (0.620) 0.099 (0.582)
I / σI 13.32 (1.95) 13.24 (3.73)
Completeness (%) 99.4 (99.5) 99.8 (99.8)
Redundancy 3.7 (3.7) 5.3 (5.3)
Refinement
Resolution (Å) 20.0–1.95 Å
No. Reflections 49,917
Rwork/Rfree 19.50 / 24.11
No. Atoms
 Protein 9,217
 Ligand Organic 110
 Ligand Inorganic 20
 Water 364
B-factors
 Protein 44.42
 Ligand Organic 46.33
 Ligand Inorganic 76.98
 Water 41.71
R.m.s. deviations
 Bond lengths (Å) 0.009
 Bond angles (°) 1.066
*

Values in parentheses are for highest-resolution shell.

Data were collected on a single crystal for each dataset