Skip to main content

Table 1 X-ray data and refinement statistics

From: Crystal structure of nitrogen regulatory protein IIANtr from Neisseria meningitidis

X-ray data  
   Space group P3121
   Unit cell dimensions (a,b,c in Å) 61.02, 61.02, 63.31
   Resolution range (Å) 30.0 - 2.50 (2.59-2.50)
   Unique reflections 4988 (486)
   Redundancy 7.6 (5.7)
   Completeness (%) 100 (100)
   Average I/σ(I) 10.2 (2.9)
   Rmerge* 0.183 (0.552)
Refinement statistics:  
   No. atoms (protein/water) 1105/73
   R-factor(Rwork/Rfree) 0.201/0.276
   Rms bond length deviation (Å) 0.006
   Rms bond angle deviation (°) 1.21
Ramachandran plot statistics  
   Residues in most favoured region (%) 87.1
   Residues in additional allowed region (%) 12.1
   Residues in generously allowed region (%) 0
   Residues in disallowed region (%) 0.8 (Arg 35)#
  1. data in brackets are for the high resolution shell.
  2. * Rmerge = Σ |I-<I> |/Σ <I> † R-factor = Σ|F O - F C |/Σ F O ;
  3. # Arg 35 has well defined main-chain electron density.