Table 1 Data collection and refinement statistics
From: Structural basis of phosphatidylinositol 3-kinase C2α function
PI3KC2αΔN+C−C2 | PI3KC2αcore (apo) | PI3KC2αcore (ATP-Mg2+) | PI3KC2αcore (Torin-2) | PI3KC2αcore (PIK-90) | |
|---|---|---|---|---|---|
Data collectiona | |||||
Space group | P212121 | P212121 | P212121 | P212121 | P212121 |
Cell dimensions | |||||
a, b, c (Å) | 82.6, 115.9, 144.4 | 135.2, 151.6, 56.0 | 56.1, 133.4, 152.7 | 55.3, 134.2, 151.0 | 55.9, 135.4, 151.6 |
α, β, γ (°) | 90.0, 90.0, 90.0 | 90.0, 90.0, 90.0 | 90.0, 90.0, 90.0 | 90.0, 90.0, 90.0 | 90.0, 90.0, 90.0 |
Resolution (Å) | 49.20–3.25 (3.45–3.25)b | 43.20–2.42 (2.51–2.42) | 47.56–2.75 (2.85–2.75) | 47.49–2.59 (2.68–2.59) | 42.26–2.65 (2.75–2.65) |
Rmerge | 0.14 (2.42) | 0.11 (2.23) | 0.13 (1.71) | 0.10 (2.13) | 0.11 (2.10) |
I / σI | 9.73 (0.84) | 10.56 (0.60) | 9.58 (0.77) | 10.91 (0.67) | 11.17 (0.72) |
Completeness (%) | 99.1 (97.1) | 99.6 (99.0) | 99.5 (99.4) | 97.6 (93.4) | 97.6 (96.2) |
Redundancy | 4.9 (4.9) | 4.5 (4.4) | 4.2 (4.1) | 4.1(3.8) | 4.0 (3.8) |
Refinement | |||||
Resolution (Å) | 3.25 | 2.42 | 2.75 | 2.59 | 2.65 |
No. reflections | 22,257 | 44,389 | 30,372 | 34,906 | 33,051 |
Rwork / Rfree | 26.16 / 30.85 | 22.93 / 27.68 | 24.59 / 28.65 | 21.95 / 26.87 | 23.39 / 27.69 |
No. atoms | |||||
Protein | 8,224 | 6,552 | 6,611 | 6,519 | 6,540 |
Ligand/ion | 41 | 13 | 50 | 65 | 46 |
Water | 19 | 85 | 86 | 79 | 56 |
B factors | |||||
Protein | 136.62 | 72.15 | 82.14 | 86.56 | 80.84 |
Ligand/ion | 231.63 | 106.22 | 100.98 | 118.78 | 98.83 |
Water | 139.07 | 62.28 | 59.11 | 74.12 | 61.86 |
R.m.s. deviations | |||||
Bond lengths (Å) | 0.013 | 0.009 | 0.014 | 0.004 | 0.013 |
Bond angles (°) | 1.63 | 1.25 | 1.66 | 0.69 | 1.67 |
