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. 2017 Jan 19;114(5):986–991. doi: 10.1073/pnas.1616998114

Table S1.

Key statistics and software used for SAXS data collection, processing, analysis, and rigid-body refinement

SASBDP entry SASDBZ7 SASDB28 SASDB38
Data-collection parameters C1r2s2 (batch) C1q (batch) C1 (inline)
Instrument ESERF BM29 ESRF BM29 Petra P12
Wavelength, Å 0.992 0.992 1.24
q range, Å−1 4.6⋅10−3 to 0.50 (0.25)* 3.6⋅10−3 to 0.50 2.2⋅10−3 to 0.48 (0.25)*
Exposure time per frame, s 2 2 1
No. of frames averaged 10 10 100
Concentration range, mg⋅ml−1 1.01–6.79 3.66 N/A
Temperature, K 277.15 277.15 293.15
Structural parameters
I(0) [from P(r)] 436 534 N/A
Rg, Å [from P(r)] 130 126.6 114.6
I(0) (from Guinier) 436 for 1.8 mg⋅ml−1 535 N/A
Rg, Å (from Guinier) 126 ± 3.0 126 ± 2 115 ± 1
Dmax, Å 450 450 365
 Porod volume estimate, Å3 645 × 103 965 × 103 2,050 × 103
 Dry volume calculated from sequence and glycans, Å3 399 × 103 563 × 103 992 × 103
 Molecular mass Mr [from I(0)], kDa 332 407 N/A
 Calculated monomeric Mr from sequence, O-linked glycans, N-linked glycans, hydroxylations, kDa 330 444 774
Software used
 Data processing PyFAI/EDNA PyFAI/EDNA SASFLOW
 Ab initio analysis N/A N/A DAMMIN
 Validation and averaging N/A N/A DAMAVER Suite
 Rigid-body modeling CORALXL N/A CORALXL
 Computation of model intensities CORALXL N/A CORALXL
*

The maximum q range used for rigid-body modeling is indicated in the parentheses.

The volume was calculated as Mr times 1.21 Å3/Da for the protein component. A volume of 2,535 Å3 was used for an Asn-linked glycan and 361 Å3 for the O-linked Glc-Gal disaccharide on hydroxylated lysine.

Using BSA with I(0) = 94.52 and Mw = 72 kDa as a standard.