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. 2021 Jun 23;11:13115. doi: 10.1038/s41598-021-92687-x

Table 1.

Data collection and refinement statistics.

Data collection Lysozyme
Energy (eV) 12,659
Expose time (ms) 100
Space group P43212
Cell dimension (Å)
a 79.45
b 79.45
c 38.47
Collected images 36,450
Hits images 11,958
Indexed images 7288
Indexed pattern 7423
Resolution (Å) 80.0–1.65 (1.71–1.65)
Unique reflections 15,398 (1498)
Completeness (%) 100.0 (99.93)
Multiplicity 83.7 (57.7)
SNR 6.58 (1.58)
CC 0.9836 (0.5635)
CC* 0.9958 (0.8490)
Rsplit (%)a 10.69 (70.26)
Wilson B factor (Å2) 31.76
Refinement
Resolution (Å) 56.18–1.65 (1.70–1.65)
Rworkb 17.85 (27.74)
Rfreec 20.87 (27.92)
R.m.s. deviations
 Bond length (Å) 0.013
 Bond angle (°) 1.618
B factors (Å)
 Protein 31.23
 Water 34.03
Ramachandran (%)
 Preferred 98.43
 Allowed 1.57
 Outliers 0.00

Highest resolution shell is shown in parentheses.

aRsplit = 12·hklIhkleven-Ihklodd12Ihkleven-Ihklodd.

bRwork = Σ||Fobs| − |Fcalc||/Σ|Fobs|, where Fobs and Fcalc are the observed and calculated structure-factor amplitudes respectively.

cRfree was calculated as Rwork using a randomly selected subset of unique reflections not used for structure refinement.