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Table 1 Crystallographic Data and Refinement Statistics

From: Crystal structures of a halophilic archaeal malate synthase from Haloferax volcanii and comparisons with isoforms A and G

  Nativea Pb Derivative Glyoxylate Complex Ternary Complex
Data Collection     
Unit cell dimensions     
   a = b (Å) 156.4 155.4 155.0 154.8
   c (Å) 141.5 139.5 141.8 142.1
   α = β (°) 90 90 90 90
   γ (°) 120 120 120 120
Resolution (Å) 30-2.70 30-2.10 20-2.51 30-1.95
  (2.80-2.70) (2.18-2.10) (2.59-2.51) (2.02-1.95)
Number of observations     
Total 104,473 271,479 75,347 401,261
Unique 18,255 73,241b 22,203 47,508
Redundancy 5.7 (5.7) 3.7 (3.6)b 3.4 (3.2) 8.4 (7.8)
Complete (%) 100.0 (100.0) 99.5 (100.0) 98.8 (97.3) 100.0 (100.0)
Rsymc 0.090 (0.383) 0.103 (0.374) 0.096 (0.453) 0.099 (0.806)
<I/σ(I)> 14.2 (4.2) 11.5 (3.3) 8.7 (2.5) 15.2 (2.3)
Wilson B factor (Å2) 68.6 33.6 56.0 33.5
Figure of Merit from SOLVE   0.36   
Figure of Merit after RESOLVE   0.71   
Cullis R factor   0.74   
Riso/Rano   0.285/0.054   
Refinement     
Rworkd 0.1984   0.1921 0.2029
Rfreee 0.2626   0.2476 0.2390
R.m.s. deviations     
   Bond lengths (Å) 0.014   0.017 0.017
   Bond angles (°) 2.27   2.07 2.47
Mean isotropic B factor (Å2) 58.34   58.33 47.65
Φ/Ψ anglesf     
   Most favored (%) 89   86.3 91.8
   Additional allowed (%) 11   13 7.9
   Generously allowed (%) 0   0.3 (Thr 276) 0.3 (Glu 24)
   Disallowed (%) 0   0.3 (Glu 24) 0
  1. Values in parentheses are for the high-resolution shell. aAt 3 mM glyoxylate, 13 mM Mg2+. bFriedel mates treated as independent reflections for anomalous phasing. cRsym = Σhkl |I - <I>|/Σhkl (I), where I is the observed intensity, and <I> is the average intensity for multiple observations of symmetry related reflections. dRwork is the Rfactor for 95% of data used during refinement, where Rfactor = Σhkl ||Fo|-|Fc||/Σhkl|Fo|. eRfree is the Rfactor for 5% of the data not used in refinement. fFor non-Gly and non-Pro residues only.