Table 1. Data collection and refinement statistics.
Parameter | LplGT HgCl2 derivative | LplGT and UDP-glucose | LppGT, UDP and glucose |
---|---|---|---|
Space group | H 3 | H 3 | P 21 |
Wavelength (Å) | 1.003 | 1.282 | 1.892 |
Resolution (Å) | 20.0-2.10 | 20.0-1.9 | 20.0-2.1 |
Cell dimensions |
a = 0122.3Å b = 0122.3Å c = 103.1Å |
a = 0122.8Å b = 0122.8 c = 103.4Å, |
a = 051.0Å b = 0104.6Å c = 53.3Å |
Unique reflections | 33622 | 45918 | 31842 |
Completeness | 0.999 (0.991) | 0.992 (0.969) | 0.971 (0.918) |
Rsym | 0.099 (0.520) | 0.073 (0.50) | 0.125 (0.402) |
I/σ(I) | 26.0 (5.7) | 29 (5.8) | 23.2 (5.5) |
Redundancy | 12.8 (11.8) | 10.3 (7.2) | 6.5 (3.6) |
Rwork/Rfree | 0.199/0.261 | 0.189/0.254 | |
RMSD from ideal geometry, bonds (Å) | 0.012 | 0.008 | |
RMSD from ideal geometry, angles (°) | 1.4 | 1.2 | |
B-factor (backbone bonds) RMSD (Å2) | 0.74 | 0.56 | |
B-factor protein (Å2) | 35.4 | 27.3 | |
B-factor UDP-glucose (Å2) | 29.4 | ||
B-factor UDP (Å2) | 19.4 | ||
B-factor glucose (Å2) | 26.9 | ||
B-factor solvent (Å2) | 40.6 | 33.5 | |
Ramachandran plot: | |||
Most favoured (%) | 97.7 | 96.2 | |
Additionally allowed (%) | 2.3 | 2.9 | |
Generously allowed (%) | 0.0 | 0.21 | |
PDB code | 2WZG | 2WZF |