Table 1 X-ray crystallography data collection and refinement statistics.
 | PALI1-K1241me3 (PDB:6V3X) | PALI1-K1219me3 (PDB:6V3Y) |
---|---|---|
Data collection | ||
 Space group | P 212121 | P 212121 |
 Cell dimensions | ||
  a, b, c (Å) | 56.2, 84.7, 90.4 | 57.8, 85.3, 91.1 |
  α, β, γ (°) | 90.0, 90.0, 90.0 | 90.0, 90.0, 90.0 |
 Resolution (Å) | 47.76-1.70 | 48.79-1.63 |
 Rsym or Rmerge | 0.066 (0.631) | 0.074 (0.643) |
 I/σI | 16.5 (2.8) | 16.2 (3.2) |
 Completeness (%) | 97.8 (96.5) | 99.7 (97.9) |
 Redundancy | 7.6 (8.0) | 8.1 (8.1) |
Refinement | ||
 Resolution (Å) | 35.2-1.70 | 48.8-1.63 |
 No. reflections | 47039 (4553) | 56904 (5630) |
 Rwork/Rfree | 0.174/0.200 | 0.165/0.193 |
 No. atoms | ||
  Protein (chain A) | 2850 | 2898 |
  Ligand (chain B) | 39 | 42 |
  Water | 178 | 267 |
 B-factors | ||
  Protein | 22.9 | 18.0 |
  Ligand/ion | 29.1 | 24.6 |
  Water | 30.1 | 27.4 |
 R.M.S. deviations | ||
  Bond lengths (Å) | 0.006 | 0.006 |
  Bond angles (°) | 0.84 | 0.89 |
 Ramachandran plot | ||
  Favoured regions (%) | 96.6 | 96.4 |
  Allowed regions (%) | 3.4 | 3.6 |
  Disallowed regions (%) | 0.0 | 0.0 |