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. 2014 Feb 21;9(2):e89027. doi: 10.1371/journal.pone.0089027

Table 2. SAXS data collection and statistics.

PerR PerR-DNA mixture
1∶1 2∶1 4∶1
Data-collection parameters
Instrument Synchrotron 23A SWAXS endstation of NSRRC
Beam geometry 0.5 mm dia. beam
Wavelength (Å) 0.8857 0.82825 0.82825 0.82825
q range (Å−1) 0.0085–0.37 0.007–0.39 0.007–0.39 0.007–0.39
Exposure time (s) 300a 300a 300a 300a
Concentration range (µM) 20.0 Protein 26.5 Protein 26.5 Protein 26.5
68.1 DNA 26.5 DNA 13.3 DNA 6.63
177.6
Temperature (K) 288 288 288 288
Structural parameters
Rg (Å) [from P(r)] 24.58±0.04 39.11±0.04 38.62±0.06 36.59±0.08
Rg (Å) [from Guinier] 24.8±0.4 38.9±0.3 38.1±0.1 35.5±0.2
I(0) (cm−1) [from Guinier] 0.033 0.12 0.08 0.05
0.113
0.352
D max (Å) ∼77 ∼125 ∼125 ∼125
Porod volume estimate (Å3) ∼58100b ∼354000 ∼335000 ∼122000
Dry volume calculated from sequence (Å3) 37682 N/A N/A N/A
Molecular-mass determination
Partial specific volume (cm3g−1) 0.73 N/A N/A N/A
Contrast (Δρ*10−10cm−2) 3.148 N/A N/A N/A
Molecular mass Mr ∼35 ∼80 ∼50 ∼40
[estimated from Porod Volume] kDa
Calculated monomeric Mr from sequence 37700 N/A N/A N/A
Software employed
Primary data reduction NSRRC 23A SWAXS package
Data processing SCATTER 1.7 and ATSAS 2.4
Ab initio analysis DAMMIN N/A N/A N/A
Validation and averaging DAMAVER N/A N/A N/A
Rigid-body modelling N/A N/A N/A N/A
Computation of model intensities FoXS FoXS FoXS FoXS
Envelope representations Chimera N/A N/A N/A
Minimal ensemble analysis N/A MES MES MES

a. 300s with 60s single exposure time for 5 successive exposures.

b. Only globular proteins with smooth surfaces: “Porod volume” ∼ “Dry volume”; uncertainty is contributed mainly from Q-invariant (upper limit of 20% is used with NSRRC 23A SWAXS)”.