Skip to main content
. 2009 Jun 27;65(Pt 7):654–659. doi: 10.1107/S1744309109019605

Table 1. Summary of crystal parameters, data-collection and refinement statistics for mitoNEET purified from an sfGFP fusion.

Values in parentheses are for the highest resolution shell.

Space group P212121
Unit-cell parameters (Å, °) a = 50.74, b = 48.48, c = 59.25, α = 90.00, β = 90.00, γ = 90.00
Data collection λ1, native
 Wavelength (Å) 1.1158
 Resolution range (Å) 38.5–1.40
 No. of observations 169484
 No. of unique reflections 26874
 Completeness (%) 91.1 (76.3)
 Mean I/σ(I) 19.60 (4.3)
Rmerge on I (%) 5.9 (32.7)
Model and refinement statistics  
 Data set used λ1
 Cutoff criterion |F| > 0
 Resolution range (Å) 38.5–1.40
 No. of reflections (total) 26847
 No. of reflections (test set) 1371
 Completeness (%) 91.3
Rcryst§ 0.202
Rfree 0.244
Stereochemical parameters  
 Restraints (r.m.s. observed)  
  Bond angle (°) 1.66
  Bond length (Å) 0.012
 Average isotropic B value (Å2) 5.64
 ESU†† based on Rfree (Å) 0.078

R merge = Inline graphic Inline graphic, where I i(hkl) is the scaled intensity of the ith measurement and 〈I(hkl)〉 is the mean intensity for that reflection.

Typically, the number of unique reflections used in refinement is slightly lower than the total number that were integrated and scaled. Reflections are excluded owing to systematic absences, negative intensities and rounding errors in the resolution limits and unit-cell parameters.

§

R cryst = Inline graphic Inline graphic, where F calc and F obs are the calculated and observed structure-factor amplitudes, respectively.

R free is as for R cryst, but calculated using 5% of the total reflections chosen at random that were omitted from refinement.

††

ESU, estimated overall coordinate error.