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. 2013 Nov 4;8(11):e78007. doi: 10.1371/journal.pone.0078007

Table 1. Data parameters.

Data collection parameters HP3 HP4
Instrument X33 (EMBL, DORIS ring, DESY)
Beam geometry 2 mm×0.6 mm
Wavelength [Å] 1.5
Inline graphic range [Å−1] 0.0074-0.5
Exposure time [s] 8×15
Temperature [K] 283
Concentration range [mg/ml] 2.2–3.8
0.7–1.2
Structural parameters
Inline graphic [% Inline graphic] from P(r) 53±5 32.25±12
Inline graphic
[Å ] from P(r) 31.2±1.2 18.8±0.1
Inline graphic [% Inline graphic] from Guinier 72.8±9 31.6±0.06
Inline graphic
[Å ] from Guinier 29.3±2 17.8±2.1
Inline graphic [Å] from data 117 61.4
Inline graphic
[Å ] Model 1 30 17.4
Inline graphic
[Å ] Model 2 33
Inline graphic [Å] of model envelope Model 1 112 61.43
Model 2 124
Porod volume estimate [Å] 30230 10950
Dry volume calculated from model [Å] Both models 28900 14100
Inline graphic fit Model 1 0.75 1.07
Model 2 0.93
Molecular-mass determination
Molecular mass Inline graphic from I(0) in P(r) [kDa] 18±2 10.7±3
Calculated monomeric Inline graphic from sequence [kDa] 23.4 10.3
Calculated monomeric Inline graphic from I(0) in Guinier [kDa] 25±3 11.6
Software employed
Primary data reduction PRIMUS
Data processing GNOM
Ab initio analysis DAMMIF
Model comparison SUPCOMB
Tertiary structure modelling RFR (this paper)
Computation of model intensities CRYSOL
Three-dimensional graphics representations PyMol