Table 2 Data collection and refinement statistics
Crystal 1 | |
---|---|
Data collection | |
Space group | P212121 |
Cell dimensions | |
a, b, c (Å) | 42.53, 69.04, 80.07 |
a, b, g (°) | 90, 90, 90 |
Resolution (Å) | 29.15–1.79 (1.83–1.79)a |
Rsym or Rmerge | 0.090 (0.676) |
I / sI | 18.3 (2.3) |
Completeness (%) | 99.1 (88.4) |
Redundancy | 11.7 (7.0) |
Refinement | |
Resolution (Å) | 29.15–1.79 |
No. reflections | 21582 |
Rwork / Rfree | 0.15 / 0.181 |
No. atoms | |
Protein | 2084 |
ACZ | 13 |
Ion | 2 |
GOL | 18 |
FLC | 13 |
Water | 206 |
B-factors | |
Protein | 24.073 |
ACZ | 18.6 |
Ion | 17.71 |
GOL | 36.39 |
FLC | 27.6 |
Water | 34.79 |
R.m.s. deviations | |
Bond lengths (Å) | 0.0091 |
Bond angles (°) | 1.7749 |