Table 1:
Cj1441 with NAD+ and UDP-glucose | |
---|---|
resolution limits | 46.4 – 2.09 (2.14 – 2.09)b |
Space Group | P21 |
γ (°) | 90.00 |
number of independent reflections | 43332 (4336) |
completeness (%) | 96.6 (97.9) |
redundancy | 12.8 (4.1) |
avg I/avg σ(I) | 11.3 (1.43) |
Rsym (%)a | 4.1 (41.5) |
resolution limits (Å) | 46.4 – 2.09 |
cR-factor (overall)%/no. reflections | 19.3/43332 |
R-factor (working)%/no. reflections | 19.0/ 41328 |
R-factor (free)%/no. reflections | 25.6/ 2004 |
number of protein atoms | 6285 |
number of ligands (NAD or UDP-glucose) | 4 |
number of water molecules | 180 |
average B values (Å2) | |
protein atoms | 48.5 |
ligand NAD+, UDP-glc | 38.6, 49.1 |
solvent | 45.7 |
weighted RMS deviations from ideality | |
bond lengths (Å) | 0.008 |
bond angles (°) | 1.04 |
general planes (°) | 0.006 |
Ramachandran regions (%) | |
most favored | 96.5 |
additionally allowed | 3.3 |
generously allowed | 0.3 |
Rsym = (∑|I - |/ ∑ I) × 100.
Statistics for the highest resolution bin.
R-factor = (Σ|Fo − Fc|/Σ|Fo|) × 100 where F0 is the observed structure-factor amplitude and Fc is the calculated structure-factor amplitude.