Skip to main content

Advertisement

Table 3 Data collection and refinement statistics of malyl-CoA lyase of R. sphaeroides

From: The crystal structures of the tri-functional Chloroflexus aurantiacus and bi-functional Rhodobacter sphaeroides malyl-CoA lyases and comparison with CitE-like superfamily enzymes and malate synthases

PDB ID 4L9Y 4L9Z
Ligands propionyl-CoA, glyoxylate, Mg 2+, Cl - CoA, oxalate, Mg 2+
Space group (No.) P 1 2 11 (4) P 6 1(169)
Conformations open and closed subunits all subunits closed
Unit cell dimensions   
a b c [Å] 80.2 144.0 94.2 221.5 221.5 96.3
α β γ [°] 90.0 112.8 90.0 90.0 90.0 120.0
Resolution [Å] 38.8 - 2.1 38.5 - 2.0
Number of observations   
  total 428,450 1,116,278
  unique 113,853 175,339
  redundancy 3.8 6.4
Complete (last shell) [%] 99.6 (98.2) 98.3 (99.0)
I/σ(I) (last shell) 15.8 (3.2) 11.7 (2.6)
R merge (last shell) 0.066 (0.448) 0.158 (0.744)
Refinement   
  R work 0.177 0.170
  R free 0.207 0.194
  RMSD bond lengths [Å] 0.003 0.006
  RMSD bond angles [°] 0.746 0.881
  mean B-factor (ligands) [Å2] 23.6 (32.2) 16.1 (25.7)
  Ramachandran   
   favored [%] 97.61 97.97
   allowed [%] 2.27 2.03
   outliers [%] 0.12 0.00