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. Author manuscript; available in PMC: 2014 Jan 8.
Published in final edited form as: Structure. 2012 Nov 29;21(1):76–87. doi: 10.1016/j.str.2012.10.014

Table 1.

Intensity and refinement statistics: OmpF in complex with antibiotic.

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