Data collection statistics a | ||
Space group | P21 | Â |
Type of crystal | Se-Met derivative (peak) | Se-Met derivative (peak) |
Wavelength (Ă…) | 0.9791 | 0.9794 |
Unit cell: | Â | Â |
  a, b, c (Ă…) | 48.94, 58.52, 88.35 |  |
  α, β, γ (°) | 90.00, 103.82, 90.00 |  |
Resolution (Å)b | 37.91–1.74 (1.83–1.74) | 58.57–2.28 (2.4–2.28) |
Unique reflections | 49642 | 22282 |
Rmerge (%) | 7.9 (48.4) | 8.0 (25.4) |
Completness (%) | 99.5 (99.4) | 99.7 (99.6) |
Multiplicity | 5.2 (5.2) | 7.1 (7.1) |
Average I/σ (I) | 12.0 (3.1) | 13.9 (5.7) |
Refinement statistics | Â | Â |
Molecules/AU | 1 | Â |
R (%) | 15.5 | Â |
Rfree (%)c | 19.2 | Â |
B factor (Ă…2) | 17.1 | Â |
RMS deviations: | Â | Â |
  Bond lengths (Ă…) | 0.006 |  |
  Bond angles (°) | 0.884 |  |
No. of: | Â | Â |
  Protein residues | 467 |  |
  Water molecules | 466 |  |
  Hetero compounds | 1 Mg2+, 2 Cl-, 29 ethylene glycol |  |
Validation | Â | Â |
Ramachandran plot: | Â | Â |
  Favoured (%) | 98.8 |  |
  Allowed (%) | 1.2 |  |
  Disallowed (%) | 0 |  |