Table 2 SAXS data collection, analysis, and modelling.
 | GspLperi | ||
---|---|---|---|
dimer | tetramer | ||
 | SASBDB code | SASDDB8 | SASDDC8 |
Data collection parameters | |||
 | Beamline | SWING, Soleil, Paris | |
 | Detector | PCCD170170 (AVIEX) | |
 | Beam geometry, mm2 | 1 × 0.5 | |
 | Wavelength, Å | 1.03 | |
 | Mode | SEC | |
 | Column | 4.6 × 300 mm Bio SEC-3 | |
 | Initial concentration, mg/ml | 13.7 | 9.0 |
 | Injected volume, µl | 50 | |
 | Flow rate, ml/min | 0.2 | |
 | Temperature, °C | 15 | |
Software employed | |||
 | Primary data reduction | FOXTROT | |
 | Data processing | ||
 | Ab initio analysis | DAMMIF36 | |
 | validation and averaging | DAMAVER57 | |
 | Modelling | EOM38 | |
 | Computation of model intensities | Crysol55 | |
 | 3D graphics representation | Pymol | |
Structural parameters | |||
Guinier Analysis | |||
 | I(0) | 0.037 ± 2.5e-5 | 0.039 ± 2.3e-5 |
 | Rg, Å | 22.42 ± 0.03 | 31.75 ± 0.37 |
 | Qmin, 1/Å | 0,0018 | 0,0025 |
 | qRgmax | 1.23 | 1.23 |
 | M from I(0), (ratio to predicted value) | 1.30 | 1.05 |
P(r) analysis | |||
 | I(0) | 0.039 ± 0.91e-5 | 0.037 ± 0.27e-4 |
 | Rg, Å | 22.43 ± 0.07 | 30.98 ± 0.03 |
 | Dmax, Å | 75 | 105 |
 | q range, 1/Å | 0.0018–0.517 | 0.0025–0.517 |
 | M from I(0), (ratio to predicted value) | 1.37 | 1.00 |
 | Porod volume estimate, Å3 (ratio V/calc. MW) | 30128 (1.08) | 60526 (1.08) |
 | dry volume from sequence, Å3 | 33777 | 67554 |
Molecular mass determination | |||
 | SAXS_MoW server, kDa | 22.8 | 83 |
 | Scatter software, kDa | 32.7 | 63.9 |
 | calculated from sequence, kDa | 27.9 | 55.8 |
 | determined by MALS, kDa | 27.5 | 55.5 |
Shape model-fitting results | |||
DAMMIF (default parameters, 20 models) | |||
 | q range for fitting, 1/Å | 0.0018–0.517 | 0.0025–0.517 |
 | Symmetry and anisotropy assumptions | P1, none | P1, none |
 | NSD (standard deviation), no. of clusters | 1.036 (0.0022), 3 | 1.065 (0.0038), 4 |
 | χ2 range | 2.474–2.528 | 2.826–2.875 |
 | Constant adjustment to intenities | Skipped, unable to detrmine | |
 | MW estimate (ratio to predicted value) | 15.2 (0.54) | 31.95 (0.57) |
EOM (default parameters, 10 000 models in initial ensemble, native-like models) | |||
 | χ2 | 5.788 | NA |
 | number of representative structures | 6 | NA |