Skip to main content
. 2020 Dec 16;40(12):BSR20202959. doi: 10.1042/BSR20202959

Table 1. Summary of crystallographic data collection and refinement statistics.

Crystal AldA (C302A)•IAA•NAD+
Space group C2
Cell dimensions a = 333.8 Å, b = 161.1 Å, c = 85.0 Å
Data collection
Wavelength 0.979 Å
Resolution range (highest shell) 47.9–2.85 Å (2.92–2.85 Å)
Reflections (total/unique) 555535/103193
Completeness (highest shell) 98.3% (99.8%)
<I/σ> (highest shell) 13.9 (5.4)
Rsym (highest shell) 9.2% (24.1%)
Refinement
Rcryst/Rfree 21.6%/25.4%
Number of protein atoms 29536
Number of ligand atoms 456
R.m.s. deviation, bond lengths 0.010 Å
R.m.s. deviation, bond angles 1.18°
Avg. B-factor: protein, ligand 35.9, 69.4 Å2
Stereochemistry: favored, allowed, outliers 95.8, 4.2, 0%