Skip to main content
. 2015 May 6;10(5):e0125946. doi: 10.1371/journal.pone.0125946

Table 2. Data collection and refinement statistics.

hGal1–LN1 hGal3-CRD–LN1 hGal7–LN1
Data collection
Space group P 212121 P 212121 P 212121
Cell dimensions
a, b, c (Å) 43.3, 58.2, 111.4 37.1, 57.6, 63.2 30.1, 55.4, 136.5
α, β, γ (°) 90, 90, 90 90, 90, 90 90, 90, 90
Resolution (Å) 30–1.93 (2–1.93) 1 30–2.208 (2.29–2.208) 30–2.23 (2.31–2.23)
I/s 29.67 (7.11) 38.35 (18.23) 14.59 (6.21)
Completeness (%) 99.5 (96.4) 99.47 (95.45) 98.67 (96.45)
Redundancy 6.7 (6.3) 7.7 (7.8) 4.8 (4.7)
R sym 2 0.056 (0.246) 0.051 (0.132) 0.050 (0.277)
Refinement
R work 3 / R free 4 0.196 / 0.235 0.165 / 0.203 0.196 / 0.225
B-factors (mean) 34.40 32.00 30.00
r.m.s. deviations
Bond lengths (Å) 0.010 0.008 0.007
Bond angles (°) 1.24 1.03 0.85
Ramachandran (%)
Favored (%) 97 99 98
Outliers (%) 0 0 0
PDB ID code 4XBL 4XBN 4XBQ

1Statistics for data from the highest-resolution shell are shown in parentheses.

2 Rsym=(ΣΣ|IhklI|)/(ΣIhkl), where the average intensity <I> is taken overall symmetry equivalent measurements and I hkl is the measured intensity for any given reflection.

3 Rwork=(Σ||Fo|k|Fc||)/(Σ|Fo|), where F o and F c are the observed and calculated structure factor amplitudes, respectively.

4 R free was calculated for R factor using only an unrefined subset of reflections data (5%).