Table 1 Data collection and refinement statistics.
Space group | citrate bound Atg18 | phosphate bound Atg18 |
|---|---|---|
P1 | P1 | |
cell dimensions | ||
a, b, c (Å) | 57.8, 58.0, 62.2 | 58.2, 58.3, 62.3 |
α, β, γ (°) | 84.2, 81.2, 87.0 | 83.7, 80.9, 86.8 |
resolution (highest res. shell) (Å) | 41.3–2.0 (2.1–2.0) | 45.5–2.5 (2.7–2.5) |
Rfactor (%) | 5.7 (36.1) | 13.3 (64.5) |
wavelength (Å) | 1.000 | 0.979 |
no. of observed reflections/unique reflections | 102367/51797 | 200927/27376 |
I/σ (I) | 9.6 (2.2) | 12.8 (3.4) |
completeness (%) | 94.5 (86.3) | 98.3 (96.5) |
Wilson B factor (Å2) | 32.1 | 41.2 |
Refinement | ||
molecules per unit cell | 2 | 2 |
Rwork/Rfree (%) | 21.4/26.9 | 22.1/26.5 |
residues included in model | A: 32–179, 201–296, 438–467, 485–524 | A:33–179, 201–297, 438–467, 484–424 |
B: 32–180, 201–297, 438–467, 484–525 | B: 33–179, 201–297, 438–467, 485–525 | |
number of protein atoms | 4835 | 4751 |
number of ligand atoms | 36 | 24 |
number of water molecules | 385 | 119 |
B-factors (Å 2) overall | 29.0 | 39.4 |
protein | 28.5 | 39.4 |
ligand | 42.3 | 49.2 |
water | 33.7 | 35.0 |
r.m.s.d. | ||
bond lengths (Å) | 0.010 | 0.003 |
bond angles (°) | 1.20 | 0.65 |
Ramachandran favored/allowed/outliers (%) | 97.4/2.4/0.2 | 96.6/3.4/0 |
