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. 2022 Jan 13;12:694. doi: 10.1038/s41598-021-04714-6

Table 1.

Data collection and refinement statistics for lysozyme and glucose isomerase delivered in beef tallow injection matrix.

Data collection Lysozyme Glucose isomerase
Diffraction source 11C beamline, PLS-II 11C beamline, PLS-II
Wavelength (Å) 0.9794 0.9794
Temperature (K) 298.5 298.5
Detector Pilatus 6 M Pilatus 6 M
Collected images 80,000 80,000
Hit images 21,922 27,380
Indexed images 20,234 7795
Indexed pattern 23,090 7976
Space group P43212 I222
a, b, c (Å) 79.45, 79.45, 38.47 94.33, 99.92, 103.31
α, β, γ (°) 90, 90, 90 90, 90, 90
Resolution range (Å) 80.00–1.55 (1.60–1.55) 72.46–1.60 (1.66–1.60)
No. of unique reflections 18,428 (1809) 64,497 (6368)
Completeness (%) 100.0 (100.0) 100.0 (100.0)
Redundancy 1257.8 (667.4) 250.9 (167.6)
SNR 10.63 (1.87) 4.79 (1.52)
CC 0.9941 (0.6243) 0.9656 (0.5348)
CC* 0.9985 (0.8767) 0.9912 (0.8348)
Rsplit 6.65 (58.61) 16.70 (70.82)
Wilson B factor (Å2) 27.02 22.61
Refinement
Resolution range (Å) 56.14–1.55 (1.60–1.55) 71.80–1.80 (1.66–1.60)
Rwork 0.1678 (0.2705) 0.1681 (0.2870)
Rfree 0.1874 (0.3274) 0.1862 (0.2930)
R.m.s. deviations
Bonds (Å) 0.013 0.007
Angles (°) 1.519 0.914
Average B factors (Å2)
Protein 28.80 21.78
Ligand 33.87 11.72
Water 38.04 33.89
Ramachandran plot
Most favoured (%) 98.43 96.34
Allowed (%) 1.57 3.40
Outliers (%) 0.00 0.26

Values for the outer shell are given in parentheses.

Rsplit = 12·hklIhkleven-Ihklodd12Ihkleven-Ihklodd.

Rfree was calculated as Rwork using a randomly selected subset (10%) of unique reflections not used for structure refinement.