Data collection* | |
Space group | P21 |
Cell dimensions | |
a, b, c (Å) | 40.56, 97.36, 49.16 |
α, β, γ (°) | 90.00, 99.90, 90.00 |
Resolution (Å) | 26.96–1.90 (1.94–1.90)* |
Rsym or Rmerge | 0.071 (0.326) |
I/σI | 7.2 (2.0) |
Completeness (%) | 98.1 (96.1) |
Redundancy | 2.3 (2.3) |
Refinement | |
Resolution (Å) | 24.21–1.90 (1.96–1.90) |
No. of reflections | 28,986 (2453) |
Rwork/Rfree | 0.1793/0.2102 (0.2481/0.2940) |
No. of atoms (nonhydrogen) | |
Protein | 3012 |
Ligand/ion | 30 |
Water | 168 |
B factors | |
Protein | 44.24 |
Ligand/ion | 57.02 |
Water | 41.98 |
Root mean square deviations | |
Bond lengths (Å) | 0.005 |
Bond angles (°) | 0.832 |
*One crystal was used for the structure. Values in parentheses are for highest-resolution shell.