Skip to Main Content
Table 1.
Data collection and refinement statistics
Parameters (Data collection statistics)SeMet OPA1-MGD
Data collection statistics  
Cell parameters  
a (Å) 77.9 
b (Å) 77.9 
c (Å) 171.5 
α, β, γ (°) 90.0, 90.0, 90.0 
Space group P43212 
Wavelength used (Å) 0.9798 
Resolution (Å) 50.0–2.40 (2.49-2.40)c 
No. of all reflections 472,513 (19,636) 
No. of unique reflections 21,509 (2,067) 
Completeness (%) 99.9 (98.9) 
Average I/σ(I) 20.56 (1.52) 
Rmergea (%) 14.4(98.1) 
Refinement statistics  
No. of reflections used (σ(F) > 0) 19,817 
Rworkb (%) 21.2 
Rfreeb (%) 25.9 
r.m.s.d. bond distance (Å) 0.01 
r.m.s.d. bond angle (°) 1.408 
Average B-value (Å2) 34.7 
No. of protein atoms 2,559 
No. of ligand atoms 35 
No. of solvent atoms 143 
Ramachandran plot  
res. in favored regions (%) 94.5 
res. in allowed regions (%) 5.4 
res. in outlier regions (%) 0.1 
Parameters (Data collection statistics)SeMet OPA1-MGD
Data collection statistics  
Cell parameters  
a (Å) 77.9 
b (Å) 77.9 
c (Å) 171.5 
α, β, γ (°) 90.0, 90.0, 90.0 
Space group P43212 
Wavelength used (Å) 0.9798 
Resolution (Å) 50.0–2.40 (2.49-2.40)c 
No. of all reflections 472,513 (19,636) 
No. of unique reflections 21,509 (2,067) 
Completeness (%) 99.9 (98.9) 
Average I/σ(I) 20.56 (1.52) 
Rmergea (%) 14.4(98.1) 
Refinement statistics  
No. of reflections used (σ(F) > 0) 19,817 
Rworkb (%) 21.2 
Rfreeb (%) 25.9 
r.m.s.d. bond distance (Å) 0.01 
r.m.s.d. bond angle (°) 1.408 
Average B-value (Å2) 34.7 
No. of protein atoms 2,559 
No. of ligand atoms 35 
No. of solvent atoms 143 
Ramachandran plot  
res. in favored regions (%) 94.5 
res. in allowed regions (%) 5.4 
res. in outlier regions (%) 0.1 
a

Rmerge = ΣhΣl | Iih-Ih |/ΣhΣIIh where Ih is the mean of observations Iih of reflection h.

b

Rwork = Σ(||Fp(obs)|-|Fp(calc)||)/Σ|Fp(obs)|. Rfree is an R factor for a pre-selected subset (5%) of reflections that was excluded in the refinement.

c

Numbers in parentheses are corresponding values for the highest resolution shell.

Close Modal

or Create an Account

Close Modal
Close Modal