Table 1. Crystallographic data summary of mouse SMP30/GNL.
Species | Mouse | Mouse | Mouse | Mouse |
Bound compound | Substrate free | 1,5-AG | Glucose | Xylitol |
Data collection | ||||
Light source | PF BL-17A | PF BL-17A | PF-AR NE-3A | PF BL-17A |
Space group | P312 1 | P312 1 | P312 1 | P312 1 |
Cell dimensions (Å) | ||||
a | 102.68, | 102.59, | 101.86 | 101.97 |
b | 102.68, | 102.59, | 101.86 | 101.97 |
c | 147.82, | 149.71, | 146.83 | 147.55 |
α, β, γ(°) | 90, 90, 120 | 90, 90, 120 | 90, 90, 120 | 90, 90, 120 |
Resolution (Å) | 76.2–1.95 | 76.4–1.70 | 75.62–2.00 | 56.62–1.85 |
Highest resolution shell | 2.06–1.95 | 1.79–1.70 | 2.11–2.00 | 1.95–1.85 |
R merge | 0.050 (0.445) | 0.042 (0.494) | 0.076 (0.643) | 0.046 (0.475) |
I/σ | 31.34 (6.61) | 37.56 (6.75) | 23.0 (3.96) | 34.07 (5.97) |
Completeness (%) | 100.0 (100.0) | 99.9 (100.0) | 99.9 (100.0) | 99.9 (100.0) |
Redundancy | 10.9 (11.1) | 10.8 (11.0) | 7.3 (7.4) | 10.8 (11.0) |
Refinement | ||||
Resolution (Å) | 51.34–1.95 | 49.90–1.70 | 75.62–2.00 | 56.62–1.85 |
No. reflections | 66221 | 100500 | 60052 | 76106 |
R work | 0.1852 | 0.1705 | 0.1759 | 0.1657 |
R free | 0.2153 | 0.1895 | 0.2076 | 0.1845 |
No. atoms | ||||
Protein | 4638 | 4724 | 4680 | 4688 |
Ligand/ion | 0/67 | 101/67 | 96/32 | 20/26 |
Water | 373 | 470 | 334 | 403 |
B-factors (Å2) | ||||
Protein | 31.6 | 22.4 | 31.3 | 28.0 |
Ligand/ion | -/47.3 | 32.6/36.6 | 48.9/46.2 | 41.0/43.1 |
Water | 36.1 | 32.0 | 35.9 | 34.4 |
Rms deviations | ||||
Bond lengths (Å) | 0.007 | 0.007 | 0.014 | 0.006 |
Bond angles (deg) | 1.169 | 1.166 | 1.228 | 1.141 |
PDB ID | 4GN7 | 4GN8 | 4GN9 | 4GNA |
Values for the highest resolution shell are shown in parenthesis.