Table 2 Data collection and refinement statistics
From: Structure of a MacAB-like efflux pump from Streptococcus pneumoniae
Spr0694–0695 (PDB 5XU1) | Spr0693 (PDB 5XU0) | |
|---|---|---|
Data collection | ||
Space group | C222 1 | P4 1 2 1 2 |
Cell dimensions | ||
a, b, c (Å) | 141.05, 154.99, 205.89 | 159.21, 159.21, 99.40 |
α, β, γ (°) | 90.00 | 90.00 |
Resolution (Å) | 50.0–3.3 (3.4–3.3)a | 50.00–3.0 (3.1–3.0) |
Rmerge | 18.5 (85.8) | 9.6 (67.9) |
I/σ(I) | 13.3 (3.2) | 15.6 (1.6) |
Completeness (%) | 100 (99.9) | 99.8 (98.8) |
Redundancy | 13.5 (14.0) | 7.0 (7.0) |
Refinement | ||
Resolution (Å) | 50.0–3.3 | 50.0–3.0 |
No. reflections | 34,560 | 23,899 |
Rwork/Rfree | 23.4/28.9 | 24.8/30.5 |
No. of atoms | ||
Protein | 9,269 | 5,088 |
Ligand/ion | 2 | 0 |
Water | 16 | 0 |
B-factors | ||
Protein | 84.9 | 101.0 |
Ligand/ion | 41.5 | |
Water | 61.2 | |
R.m.s. deviations | ||
Bond lengths (Å) | 0.008 | 0.004 |
Bond angles (°) | 1.298 | 0.793 |
