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. 2021 Dec 29;298(2):101550. doi: 10.1016/j.jbc.2021.101550

Table 2.

Summary of crystallographic statistics

Crystal PfHAD5
 Space group P6522
 Cell dimensions a = b = 161.3. Å, c = 109.7 Å
Data collection
 Wavelength 0.979 Å
 Resolution range (highest shell) 40.3–3.50 Å (3.56–3.520 Å)
 Reflections (total/unique) 354,596/11,030
 Completeness (highest shell) 99.9% (100%)
 <I/σ> (highest shell) 18.5 (2.7)
 Rsym (highest shell) 33.4% (143%)
Refinement
 Rcrys/Rfree 25.4%/31.0%
 No. of protein atoms 3941
 No. of ligand atoms 2
 R.m.s. deviation, bond lengths 0.003 Å
 R.m.s. deviation, bond angles 0.74°
 Avg. B-factor: protein, ligand 92.7, 59.1 Å2
 Stereochemistry: favored, allowed, outliers 94.7, 4.5, 0.8%