Table 1.
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).