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. 2013 Jan 22;8(1):e53706. doi: 10.1371/journal.pone.0053706

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 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.