Table 1.
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X-ray data collection and refinement statistics of OXA-145

X-ray data
 space groupP212121
 cell dimensions
  a, b, c (Å)46.7, 91.2, 125.3
  α, β, γ (°)90.0, 90.0, 90.0
 resolution (Å)45.5–2.30 (2.42–2.30)a
 Rmerge0.086 (0.403)
 I/σI11.5 (2.2)
 completeness (%)98.1 (91.0)
 redundancy3.7 (2.6)
Refinement
 resolution (Å)45–2.30
 no. reflections22 869
 Rwork/Rfree0.189/0.248
 no. atoms
  protein3772
  ligand26
  water157
 B-factors
  protein35.67
  ligand38.85
  water32.15
 Ramachandran plot
  residues in favoured regions96%
  residues in allowed regions4%
  outliers0%
 RMSDs
  bond lengths (Å)0.012
  bond angles (°)1.614
X-ray data
 space groupP212121
 cell dimensions
  a, b, c (Å)46.7, 91.2, 125.3
  α, β, γ (°)90.0, 90.0, 90.0
 resolution (Å)45.5–2.30 (2.42–2.30)a
 Rmerge0.086 (0.403)
 I/σI11.5 (2.2)
 completeness (%)98.1 (91.0)
 redundancy3.7 (2.6)
Refinement
 resolution (Å)45–2.30
 no. reflections22 869
 Rwork/Rfree0.189/0.248
 no. atoms
  protein3772
  ligand26
  water157
 B-factors
  protein35.67
  ligand38.85
  water32.15
 Ramachandran plot
  residues in favoured regions96%
  residues in allowed regions4%
  outliers0%
 RMSDs
  bond lengths (Å)0.012
  bond angles (°)1.614

aValues in parentheses are for the highest-resolution shell.

Table 1.
Open in new tab

X-ray data collection and refinement statistics of OXA-145

X-ray data
 space groupP212121
 cell dimensions
  a, b, c (Å)46.7, 91.2, 125.3
  α, β, γ (°)90.0, 90.0, 90.0
 resolution (Å)45.5–2.30 (2.42–2.30)a
 Rmerge0.086 (0.403)
 I/σI11.5 (2.2)
 completeness (%)98.1 (91.0)
 redundancy3.7 (2.6)
Refinement
 resolution (Å)45–2.30
 no. reflections22 869
 Rwork/Rfree0.189/0.248
 no. atoms
  protein3772
  ligand26
  water157
 B-factors
  protein35.67
  ligand38.85
  water32.15
 Ramachandran plot
  residues in favoured regions96%
  residues in allowed regions4%
  outliers0%
 RMSDs
  bond lengths (Å)0.012
  bond angles (°)1.614
X-ray data
 space groupP212121
 cell dimensions
  a, b, c (Å)46.7, 91.2, 125.3
  α, β, γ (°)90.0, 90.0, 90.0
 resolution (Å)45.5–2.30 (2.42–2.30)a
 Rmerge0.086 (0.403)
 I/σI11.5 (2.2)
 completeness (%)98.1 (91.0)
 redundancy3.7 (2.6)
Refinement
 resolution (Å)45–2.30
 no. reflections22 869
 Rwork/Rfree0.189/0.248
 no. atoms
  protein3772
  ligand26
  water157
 B-factors
  protein35.67
  ligand38.85
  water32.15
 Ramachandran plot
  residues in favoured regions96%
  residues in allowed regions4%
  outliers0%
 RMSDs
  bond lengths (Å)0.012
  bond angles (°)1.614

aValues in parentheses are for the highest-resolution shell.

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