Table 1 Crystal structure of insulin icodec: data collection and refinement statistics
From: Enhanced disulphide bond stability contributes to the once-weekly profile of insulin icodec
Wavelength (Å) | 1.5418 |
Resolution range (Å) | 29.67–2.0 (2.07–2.0) |
Space group | P 43 21 2 |
Unit cell (Å, deg) | 54.793 54.793 138.355 90 90 90 |
Total reflections | 27,175 (2730) |
Unique reflections | 14,970 (1461) |
Multiplicity | 1.8 (1.9) |
Completeness (%) | 99.57 (98.91) |
Mean I/sigma (I) | 28.48 (3.43) |
Wilson B-factor (Å2) | 35.35 |
R-merge | 0.0206 (0.1751) |
R-meas | 0.0291 (0.2476) |
R-pim | 0.0206 (0.1751) |
CC1/2 | 0.999 (0.972) |
CC* | 1 (0.993) |
Reflections used in refinement | 14,918 (1449) |
Reflections used for R-free | 1491 (145) |
R-work | 0.178 (0.224) |
R-free | 0.217 (0.249) |
CC (work) | 0.952 (0.949) |
CC (free) | 0.917 (0.915) |
Number of non-hydrogen atoms | 1217 |
Macromolecules | 1159 |
Ligands | 14 |
solvent | 50 |
Protein residues | 147 |
RMS (bonds) (Å) | 0.011 |
RMS (angles) | 1.05 |
Ramachandran favoured (%) | 99.26 |
Ramachandran allowed (%) | 0.74 |
Ramachandran outliers (%) | 0.00 |
Rotamer outliers (%) | 0.74 |
Clashscore | 4.88 |
Average B-factor (Å2) | 47.71 |
Macromolecules | 47.57 |
Ligands | 56.44 |
Solvent | 49.61 |
PDB accession code | 8RRP |
