Table 1.
OmpF Structure | OmpF/ampicillin | OmpF/carbenicillin | OmpF/ertapenem |
---|---|---|---|
Crystal | |||
Space group | P3 | P3 | P3 |
Cell Constants | |||
a, b (Å) | 116.6 | 116.7 | 116.8 |
c (Å) | 53.3 | 53.9 | 52.8 |
Data Collection | |||
Resolution (Å) | 50.0–2.0 | 47.5–2.3 | 36.5–1.9 |
Measured reflections | 245,574 | 224,254 | 471,080 |
Unique reflections | 56,274 | 36,275 | 65,981 |
Redundancy | 2.2 (2.1) | 2.1 (2.0) | 2.0 (1.9) |
I/σ (I) | 16.8 (2.0) | 17.1 (2.0) | 9.5 (2.1) |
Completeness (%) | 98.7 (97.9) | 98.3 (98.5) | 96.5 (96.9) |
Rmerge | 0.071 (0.424) | 0.074 (0.413) | 0.085 (0.339) |
Refinement | |||
R | 0.202 | 0.219 | 0.188 |
Rfree | 0.239 | 0.272 | 0.227 |
RMSD from ideal | |||
Bond lengths (Å) | 0.025 | 0.023 | 0.024 |
Bond angles (°) | 2.12 | 2.06 | 2.16 |
Values in parentheses are for the outermost shell