Table 1 Data collection and refinement statistics (molecular replacement)
From: Allosteric enhancement of ORP1-mediated cholesterol transport by PI(4,5)P2/PI(3,4)P2
|  | ORP1-ORD-cholesterol (2.6 Å) | ORP1-ORD-cholesterol (3.4 Å) | ORP1-ORD-PI(4,5)P2 |
|---|---|---|---|
Data collection a | |||
Space group | P3121 | P4132 | P43212 |
Cell dimensions | |||
   a, b, c (Å) | 135.8, 135.8, 91.2 | 149.2, 149.2, 149.2 | 188.7, 188.7, 64.6 |
   α, β, γ (°) | 90, 90, 120 | 90, 90, 90 | 90, 90, 90 |
Resolution (Å) | 50.00–2.60 | 50.00–3.40 | 50.00–2.70 |
|  | (2.64–2.60)b | (3.52–3.40) | (2.75–2.70) |
Rsym or Rmerge | 0.124 (0.617) | 0.074 (0.549) | 0.094 (0.621) |
I/σI | 24.2 (4.9) | 41.7 (8.1) | 37.4 (2.8) |
Completeness (%) | 100.0 (100.0) | 99.8 (100.0) | 96.4 (89.0) |
Redundancy | 12.1 (12.3) | 17.9 (18.1) | 11.7 (4.8) |
Refinement | |||
Resolution (Å) | 37.84–2.60 | 34.24–3.40 | 32.58–2.70 |
|  | (2.69–2.60) | (3.52–3.40) | (2.78–2.70) |
No. reflections | 30261 (1478) | 8299 (793) | 32031 (1451) |
Rwork/Rfree | 0.178/0.200 | 0.272/0.307 | 0.245/0.266 |
No. atoms | |||
  Protein | 3225 | 2918 | 6223 |
  Ligand/ion | 73 | 28 | 131 |
  Water | 129 | – | 28 |
B-factors (Ã…2) | |||
  Protein | 44.3 | 110.2 | 60.7 |
  Ligand/ion | 50.8 | 107.2 | 86.8 |
  Water | 42.0 | – | 34.1 |
R.m.s. deviations | |||
  Bond lengths (Å) | 0.008 | 0.002 | 0.008 |
  Bond angles (°) | 0.970 | 0.440 | 1.010 |
