Table 1 Data collection and refinement statistics.
From: Molecular basis of transmembrane beta-barrel formation of staphylococcal pore-forming toxins
γ-HL-WR | LUK | |
|---|---|---|
Data collection | ||
Space group | C2 | C2 |
Cell dimensions | ||
a, b, c (Å) | 197.06, 197.05, 192.97 | 193.3, 193.2, 116.4 |
α, β, γ (°) | 90, 99.04, 90 | 90, 118.9, 90 |
Resolution (Å)* | 44.4–2.99 (3.10–2.99) | 48.3–2.40 (2.49–2.40) |
Rsym (%)* | 18.58 (62.24) | 13.14 (54.53) |
‹I/σ(I)›* | 4.73 (1.53) | 7.14 (2.48) |
Completeness (%)* | 95.55 (77.76) | 99.61 (97.89) |
Redundancy* | 3.3 (2.6) | 3.8 (3.4) |
No. of unique reflections* | 139,696 (11,323) | 144,820 (14,184) |
Refinement | ||
Resolution (Å) | 44.4–2.99 | 48.3–2.40 |
No. of unique reflections* | 139,696 (11,323) | 144,820 (14,184) |
Rwork/Rfree | 0.230/0.254 | 0.179/0.223 |
No. atoms | ||
Protein | 17,223 | 17,140 |
Ligand/ion | 0 | 32 |
Water | 0 | 1,057 |
B-factors (Å2) | ||
Protein | 52.1 | 36.8 |
Ligand/ion | — | 73.1 |
Water | — | 40.3 |
r.m.s.d. | ||
Bond lengths (Å) | 0.008 | 0.014 |
Bond angles (°) | 1.04 | 1.36 |
