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Table 1 X-ray data collection and refinement statistics

From: Crystal structure of the γ-hydroxymuconic semialdehyde dehydrogenase from Pseudomonas sp. strainWBC-3, a key enzyme involved in para-Nitrophenol degradation

 Parameters Native NAD
 Data collection   
 Space group P21 P21
 a(Å) 83.531 86.911
 b(Å ) 144.252 154.539
 c(Å) 138.288 143.435
 α(degree) 90 90
 β(degree) 93.590 95.241
 γ(degree) 90 90
 Resolution (Å) 50-2.7 50-3.1
 Unique reflections (outer shell) 86090 (8181) 63089 (5766)
I/σ (outer shell) 14.5 (3.6) 17.0 (2.8)
R sym (outer shell) 0.086 (0.312) 0.054 (0.390)
 Refinement   
 Resolution range (Å) 50-2.7 50-3.1
 Number of reflections (|F| > 0) 83501 60632
R work 0.2249 0.2067
R free 0.2366 0.2507
 Total number of atoms 29694 29983
 RMSD   
 Bond length (Å) 0.02 0.011
 Bond angles (degree) 1.559 1.555
 Ramachandran (%)   
 Most favored 92.57% 91.05%
 Generously allowed 6.79% 8.35%
 Disallowed 0.64% 0.60%
  1. R sym = ∑  hkl   ∑  i |I(hkl) i  ‒ < I(hkl) > |/∑ hkl  ∑ I < I(hkl) i  > over i observations.