Skip to main content
. 2016 Oct 11;11(10):e0164662. doi: 10.1371/journal.pone.0164662

Table 1. SAXS-derived parameters for NLRP1(227–990).

Data-collection Parameters
Instrument SEC-SAXS at B21 Diamond Light source
SEC column Superdex 200 (GE Healthcare)
q range (Å-1) 0.0022–0.42
Temperature (°C) 25°C
Sample Concentration (before SEC) 2mg/mL 6mg/mL
Structural parameters
I(0) (cm-1/absorbance) [from P(r)] 0.0018±0.0001 0.0067±0.0002
Rg (Å) [from P(r)] 34.6±0.4 35.0±0.1
I(0) (cm-1/absorbance) (from Guinier) 0.0018±0.0001 0.0066±0.0002
Rg (Å) (from Guinier) 34.1±0.4 34.8±0.2
Dmax (Å) 114 115
Porod Volume estimate (Å3) 139208 127250
χ2 a 0.96 1.02
Normalised Spatial Discrepancy 0.57±0.03 0.61±0.03
SAXS derived Molecular Mass
From Porod Volume (VPorod/1.6) (Da) 87000 79000
SAXSMoW (Da)b 101000 98000
From BSA as standard 99000 91000
Molecular mass from sequence (kDa) 89.5
Software employed
Primary data reduction SCATTER
Data processing ATSAS
Ab initio analysis DAMMIF
Validation and averaging DAMAVER
Computation of model intensities CRYSOL
Three-dimensional graphic representation PyMOL

avalue derived from best DAMMIF model