Table 2. Crystallographic data summary of human SMP30/GNL.
Species | Human | Human |
Bound compound | Substrate free | 1,5-AG |
Data collection | ||
Light source | PF BL-5A | PF BL-17A |
Space group | P21 | P21 |
Cell dimensions (Å) | ||
a | 64.50, | 64.41, |
b | 50.79, | 50.20, |
c | 86.56 | 86.57, |
α, β, γ(°) | 90, 100.24, 90 | 90, 99.65, 90 |
Resolution (Å) | 20.0–1.50 | 50.0–1.75 |
Highest resolution shell | 1.58–1.50 | 1.81–1.75 |
R merge | 0.045 (0.530) | 0.058 (0.375) |
I/σ | 24.09 (3.59) | 19.48 (2.24) |
Completeness (%) | 98.3 (96.0) | 99.3 (97.2) |
Redundancy | 5.3 (4.9) | 4.6 (3.8) |
Refinement | ||
Resolution (Å) | 19.53–1.50 | 47.29–1.75 |
No. reflections | 86999 | 54737 |
R work | 0.1893 | 0.1951 |
R free | 0.2181 | 0.2300 |
No. atoms | ||
Protein | 4613 | 4535 |
Ligand/ion | 0/3 | 55/2 |
Water | 391 | 159 |
B-factors (Å2) | ||
Protein | 15.6 | 24.485 |
Ligand/ion | -/13.4 | 30.249/20.420 |
Water | 24.7 | 26.268 |
Rms deviations | ||
Bond lengths (Å) | 0.007 | 0.011 |
Bond angles (deg) | 1.144 | 1.139 |
PDB ID | 4GNB | 4GNC |
Values for the highest resolution shell are shown in parenthesis.