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

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 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.