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. 2021 Jan 1;77(Pt 1):75–85. doi: 10.1107/S2059798320014540

(b) Refinement.

    Insulin ED data (data sets 3–7 merged) Thermolysin Thaumatin
  Insulin X-ray data Uncorrected data Corrected for dynamical scattering Uncorrected data Corrected for dynamical scattering Uncorrected data Corrected for dynamical scattering
Resolution range (Å) 24.20–2.30 (2.36–2.30) 30.30–3.25 (3.33–3.25) 30.30–3.25 (3.33–3.25) 37.52–3.26 (3.34–3.26) 37.49–3.26 (3.34–3.26) 12.34–2.76 (2.83–2.76) 12.34–2.76 (2.83–2.76)
No. of reflections
 Work set 3213 (217) 1019 (64) 1030 (63) 4293 (262) 4293 (262) 4364 (108) 4364 (108)
 Free set 180 (9) 108 (4) 97 (5) 237 (12) 237 (12) 231 (3) 231 (3)
No. of atoms 805 770 770 2438 2438 1551 1551
No. of reflections/No. of parameters 0.998 0.334 0.334 0.440 0.440 0.703 0.703
R factor 0.166 0.194 0.187 0.214 0.187 0.283 0.255
R work 0.162 (0.130) 0.181 (0.349) 0.178 (0.296) 0.210 (0.347) 0.184 (0.213) 0.281 (0.160) 0.253 (0.323)
R free 0.238 (0.333) 0.319 (0.501) 0.272 (0.338) 0.292 (0.541) 0.238 (0.416) 0.320 (0.176) 0.295 (0.276)
σ, bonds (Å) 0.008 0.006 0.006 0.007 0.006 0.005 0.005
σ, angles (°) 1.174 1.034 1.011 1.156 1.057 1.005 1.008

Only one crystal diffracted to 2.76 Å resolution (see Supplementary Table S3 for details). The completeness of the thaumatin data is 85.6% at 3.19 Å resolution, 81.9% at 3.09 Å resolution and 22.6% in the 3.09–2.76 Å resolution shell.