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Table 4 Data collection and refinement statistics

From: Structure-based directed evolution improves S. cerevisiae growth on xylose by influencing in vivo enzyme performance

 Wild typeV270A–A273G
Resolution range (Å)a46.6–1.86 (1.89–1.86)46.6–2.0 (2.03–2.00)
Cell dimensions
 a, b, c (Å)78.5, 79.3, 91.978.6, 79.4, 92.0
 α, β, γ (°)115.5, 90.0, 117.1115.5, 90.0, 117.1
 Number of unique reflections135,735 (5669)111,563 (5325)
 Completeness (%)93.6 (79.1)95.3 (92.1)
 Overall I/σ (I)7.1 (1.9)5.3 (2.0)
 Rmerge (%)6.7 (31.8)6.8 (24.4)
 R/Rfree (%)13.9/17.615.4/18.5
R.m.s. deviations from ideal values
 Bond lengths (Å)0.0090.010
 Bond angles (°)1.551.55
Protein residues
 Ca2+ ions4 × 24 × 2
 Water molecules19071745
 Xylose molecules2218
 Sulfate ions76
 PDB accession ID6T8E6T8F
  1. aValues in parentheses are for the highest resolution shell