Table 1.
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