Table 1 Data collection and refinement statistics.
15-2bmPEG | |
|---|---|
Data collection | |
Space group | P21 |
Cell dimensions | |
a, b, c (Å) | 63.99, 112.29, 158.73 |
α, β, γ (°) | 90.00, 90.00, 90.00 |
Resolution (Å) | 30.00–2.08 (2.15–2.08) |
Rsym or Rmerge | 5.8 (49.2) |
I / σI | 24.8 (2.7) |
Completeness (%) | 98.5 (93.1) |
Redundancy | 4.8 (4.4) |
Refinement | |
Resolution (Å) | 30.00–2.08 |
No. reflections | 131932 |
Rwork / Rfree | 0.211/0.245 |
No. atoms | |
Protein | 12890 |
Ligand/ion | 80 |
Water | 692 |
B-factors | |
Protein | 30.8 |
Ligand/ion | 38.4 |
Water | 31.1 |
R.m.s. deviations | |
Bond lengths (Å) | 0.0048 |
Bond angles (°) | 1.358 |