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. 2021 Oct 21;7(11):2987–2998. doi: 10.1021/acsinfecdis.1c00132

Table 3. Crystallography Data Collection and Refinement Statistics.

  Recombinant AbIspCa
Wavelength (Å) 1.54
Resolution range (Å) 33.917–2.490 (2.533–2.490)
Space group P21212
Unit cell 66.572 118.251 53.911 90 90 90
Unique reflections 28399 (15339)
Multiplicity 7.23
Completeness (%) 98.57 (98.57)
Mean I/sigma(I) 23.09
Wilson B-factor 23.33
R-merge 0.2494
R-work 0.2307
R-free 0.2442
RMS(bonds) 0.008
Number of H2O 147
Ramachandran favored (%) 97.46
Ramachandran outliers (%) 0
Clashscore 0
Average B-factor 23.65
macromolecules 23.78
ligands 19.34
a

Statistics for the highest-resolution shell are shown in parentheses.