Table 1.
EtHgPO4 UppP | Native UppP | |
---|---|---|
Data collection | ||
Space group | C222 | C222 |
Cell dimensions | ||
a, b, c (Å) | 111.19, 146.84, 40.20 | 110.05, 146.19, 40.23 |
α, β, γ (°) | 90, 90, 90 | 90, 90, 90 |
Wavelength | 1.0057 | 0.9795 |
Resolution (Å) | 40.20–3.00 (3.11–3.00) | 44.56–2.00 (2.07–2.00) |
Rsym or Rmerge | 0.1663 (0.942) | 0.1083 (1.434) |
I/σI | 14.38 (2.91) | 8.11 (1.25) |
Completeness (%) | 99.70 (99.28) | 95.58 (69.75) |
Redundancy | 12.1 (11.9) | 5.7 (4.0) |
Refinement | ||
Resolution (Å) | 44.56–2.00 (2.07–2.00) | |
No. reflections | 21,713 | |
Rwork/Rfree | 0.22/0.25 | |
No. atoms | ||
Protein | 2080 | |
Ligand/ion | 145 | |
Water | 44 | |
B-factors | ||
Protein | 44.78 | |
Ligand/ion | 67.20 | |
Water | 41.54 | |
R.m.s deviations | ||
Bond lengths (Å) | 0.006 | |
Bond angles (°) | 1.02 |
Values in parentheses are for highest-resolution shell