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. 2015 Nov 9;112(47):E6446–E6455. doi: 10.1073/pnas.1512088112

Table S1.

Summary of SAXS data

Parameter Sample
PKI (0.5–2.6 mg·mL−1) PKI Δ6604-6618 (0.5–2.1 mg·mL−1)
Data collection parameters
Instrument APS, sector 12-ID-B APS, sector 12-ID-B
Beam geometry Synchrotron Synchrotron
Wavelength, Å 0.866 Å 0.866 Å
q range, Å-1 0.005 0.760
Exposure time, s 10 10
Concentration range, mg⋅mL−1 0.5–2.6 0.5–2.1
Temperature, K 298 298
Data collection parameters
I(0) [from P(r)] 3.52 ± 0.02 × 10−2 5.27 ± 0.03 × 10−2
Rg, Å [from P(r)] 26.5 ± 0.2 22.8 ± 0.2
I(0) (from Guinier) 3.5 ± 0.1 × 10−2 5.2 ± 0.1 × 10−2
Rg, Å (from Guinier) 25.6 ± 0.3 22.3 ± 0.3
Dmax, Å 90 ± 5 75 ± 5
Porod volume estimate, 1033) 37.4 26.5
Dry volume calculated from sequence, 1033) 21.4 16.8
Molecular mass determination
Molecular mass (Vc), kDa 29.1 ± 4 24.3 ± 4
Calculated molecular mass from sequence, kDa 22.6 17.8
Software used
Primary data reduction IGOR PRO IGOR PRO
Data processing PRIMUS/GNOM PRIMUS/GNOM
Ab initio analysis DAMMIF DAMMIF
Validation and averaging DAMAVER DAMAVER
Rigid-body modeling Mc-SYM Mc-SYM
Computation of model intensities CRYSOL/FoXS CRYSOL/FoXS
3D graphics representations PyMol/Supcomb PyMol