Table 1 Data collection and refinement statistics.
From: Crystal structure of a lipin/Pah phosphatidic acid phosphatase
| Â | Se-Met Tt Pah2 Calcium | Tt Pah2 Calcium | Tt Pah2 Magnesium |
|---|---|---|---|
Data collection | |||
 Space group | C 1 2 1 | C 1 2 1 | C 1 2 1 |
 Cell dimensions | |||
   a, b, c (Å) | 107.53, 135.42, 91.61 | 108.02, 135.13, 90.97 | 165.41, 57.64, 84.19 |
   α, β, γ (°) | 90, 116.3, 90 | 90, 116.19, 90 | 90, 114.9, 90 |
 Wavelength | 0.9794 | 0.9793 | 0.9184 |
 Resolution (Å) | 43.38–3.25 (3.34–3.25)* | 52.05–3.0 (3.107–3.0) | 44.89–3.0 (3.107–3.0) |
 Rmerge | 0.174 (1.47) | 0.0888 (0.4502) | 0.1996 (0.5586) |
 I/σI | 9.21 (1.68) | 13.27 (3.98) | 5.78 (2.60) |
 Completeness (%) | 100 (100) | 99.95 (100.00) | 99.72 (99.79) |
 Redundancy | 13.9 (13.6) | 6.9 (7.1) | 6.8 (6.4) |
Refinement | |||
 Resolution (Å) |  | 3.0 | 3.0 |
 No. reflections |  | 162667 | 100293 |
 Rwork/Rfree |  | 0.2317/0.2656 | 0.2419/0.2828 |
 No. atoms |  | 8653 | 4397 |
   Protein |  | 8590 | 4366 |
   Ligand/ion |  | 5 | 2 |
   Water |  | 58 | 29 |
 B-factors | |||
   Protein |  | 85.98 | 70.38 |
   Ligand/ion |  | 101.07 | 57.66 |
   Water |  | 68.00 | 42.34 |
 R.m.s deviations | |||
   Bond lengths (Å) |  | 0.006 | 0.005 |
   Bond angles (°) |  | 0.94 | 1.15 |
