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. 2016 Jan 12;25(2):360–373. doi: 10.1002/pro.2821

Table 1.

Data Collection and Refinement Statistics

Human CFTR NBD1 (aa389‐678; F429S, F494N, ΔF508, Q637R, ATP•Mg2+)
Data collection
X‐ray source APS (IMCA)
Wavelength (Å) 1.00
Space group P43212
Unit cell
a, b, c (Å) 101.456, 101.456, 58.335
α, β, γ (°) 90, 90, 90
Resolution (Å)b 101–2.05 (2.16–2.05)
No. of reflections
Total 226,627 (18,547)
Unique 19,819 (2,829)
Completeness (%) 100.0 (99.7)
I/σ (I) 20.4 (2.2)
R meas (%) 8.8 (87.1)
Refinement
Resolution(Å)b 101–2.05 (2.16–2.05)
R work/R free (%) 19.6/24.3
RMSDs
Bond length (Å) 0.017
Bond angles (°) 1.908
No. of atoms 2,109
Protein 2,029
Ligands 32
Water 48
Ave. B‐factors (Å2)
Protein 37.3
Water 29.0
Ramachandran (%)
Favored 98.4
Allowed 1.6
Outliers 0

Values in parenthesis are for the highest resolution shells.

Values in parenthesis are for the highest resolution bin.