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. Author manuscript; available in PMC: 2023 Sep 9.

Published in final edited form as: ACS Infect Dis. 2022 Aug 16;8(9):1948–1961. doi: 10.1021/acsinfecdis.2c00321

Table 3.

Structure Refinement Statistics

	Ldt_Ab
PDB code	8DA2
resolution range (Å)	37.1–2.6
reflections used, total/free	15854/820
working R-factor/R_free^a	0.2178/0.2648
total atoms
protein	2461
solvent	45
B factors
protein (Å²)	74.7
solvent (Å²)	66.1
rms deviations
bonds (Å)	0.009
angles (°)	1.12
Ramachandran plot^b
favored regions (%)	96.2
outliers	1
MOLPROBITY score^b	2.28 (91st percentile)
Clash score^b	9.36 (98th percentile)

^a

R_free was calculated with 5% of the unique reflections

^b

Calculated with MOLPROBITY.⁵⁹