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. 2016 Oct 19;113(44):E6796–E6805. doi: 10.1073/pnas.1614297113

Table 1.

Data collection and refinement statistics

Statistics D50S–avilamycin D50S–evernimicin Avilamycin-free
Crystal information
 Space group I222 I222 P21
a, b, c, Å 170.0, 412.6, 697.9 169.4, 407.4, 692.5 8.1, 34.5, 28.6
 α, β, γ, ° 90, 90, 90 90, 90, 90 90, 97, 90
Diffraction data statistics
 Wavelength, Å 0.873 1.033 0.710
 No. of crystals 2 4 1
<I>/<σI> 6.5 (1.01) 9.75 (1.43) 20.7 (3.5)
 Resolution, Å 50–3.35 (3.41–3.35)* 30–3.58 (3.64–3.58) 20–1.00 (1.04–1.00)
 Observed reflections 1,115,549 (13,797) 982,811 (13,017) 25,930
 No. of unique reflections 290,370 263,507(8,630) 14,062
 Redundancy 3.8 (3.3) 3.7 (3.4) 5.4 (3.6)
 Completeness, % 93.3 (89.2) 94.4 (93.5) 97.5 (99.0)
Refinement statistics
Rwork/Rfree 0.215/0.259 0.206/0.249 0.1089/0.1197
 RMSD bonds lengths, Å 0.005 0.008
 RMSD angles, ° 0.991 1.3
*

Values in parentheses are for highest-resolution shell.

R for all data.

R for data with I > 2σ(I).