Table 2. Data collection and... | Rockefeller University Press

Table 2.

Data collection and scattering-derived parameters

Data collection parameters
Sample	hKCNH2 734–864
Beamline	ESRF BM29
Beam geometry (mm²)	0.7 × 0.7
Wavelength (Å)	1.0
Q range (Å⁻¹)	0.0025–0.5
No. of frames	10
Exposure per frame (s)	0.5
Concentration (mg/ml)	3.0, 1.5, 0.7
Temperature (°C)	5
Structural parameters
I₀ (from Guinier)^a	11.3 ± 0.1
R_g (Å; from Guinier)^a	15.9 ± 0.2
Porod volume (10³ Å³)	27.23
χ² CRYSOL	1.4
χ² EOM	0.8
Software employed
Primary data reduction	AUTOMAR
Data processing	PRIMUS
Modeling	CRYSOL, EOM

Data collection parameters
Sample	hKCNH2 734–864
Beamline	ESRF BM29
Beam geometry (mm²)	0.7 × 0.7
Wavelength (Å)	1.0
Q range (Å⁻¹)	0.0025–0.5
No. of frames	10
Exposure per frame (s)	0.5
Concentration (mg/ml)	3.0, 1.5, 0.7
Temperature (°C)	5
Structural parameters
I₀ (from Guinier)a	11.3 ± 0.1
R_g (Å; from Guinier)a	15.9 ± 0.2
Porod volume (10³ Å³)	27.23
χ² CRYSOL	1.4
χ² EOM	0.8
Software employed
Primary data reduction	AUTOMAR
Data processing	PRIMUS
Modeling	CRYSOL, EOM

± SE