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Table 3 Data collection and refinement statistics

From: Structural and functional characterisation of the methionine adenosyltransferase from Thermococcus kodakarensis

Data set SeMet derivative Native
PDB accession code -- 4L4Q
Space group P 43 C 2
Unit cell parameters   
a, b, c [Å] 121.2, 121.2, 247.1 134.8, 57.8, 236.4
α, β, γ [°] 90.0, 90.0, 90.0 90.0, 104.0, 90.0
Monomers per a.u. 2 4
Wavelength [Å] 0.9796 1.0000
Resolution [Å] 50.0 – 3.8 (3.9 – 3.8)* 50.0 – 2.0 (2.1 – 2.0)*
Multiplicity 6.3 (6.4) 4.7 (3.7)
Completeness [%] 99.9 (100.0) 99.2 (95.0)
I/ σ(I) 9.9 (3.9) 9.1 (1.9)
No. of unique reflections 35,046 (5,077) 119,397 (16,072)
R int 0.144 (0.476) 0.101 (0.491)
R p.i.m. 0.062 (0.203) 0.051 (0.273)
R cryst   0.187 (0.295)
R free   0.244 (0.370)
est. coordinate error [Å]   0.141
r.m.s.d. bond lengths [Å]   0.017
r.m.s.d. bond angles [°]   1.941
average B-factor [Å 2 ]   41.0
  1. * values in parentheses represent the highest resolution shell.