Table 1.
Native1 | Native2 | I-dU5 | I-dU13 | I-dU24 | I-dU25 | |
---|---|---|---|---|---|---|
Resolution, Å | 2.5 | 3.0 | 2.8 | 3.0 | 3.0 | 3.0 |
Reflections, observations/unique | 64,023/12,347 | 99,488/7,275 | 89,523/8,962 | 65,181/7,208 | 66,596/7,287 | 62,038/7,237 |
Data coverage, % | 93.6 | 93.4 | 97.0 | 95.4 | 80.8 | 88.4 |
Rsym, % | 8.0 | 7.5 | 6.7 | 8.7 | 9.6 | 6.6 |
Mean fractional isomorphous difference, % | 13.7 | 18.9 | 10.0 | 18.6 | ||
MIR analysis, 20.0–3.0 Å against Native2 | ||||||
Phasing power | 1.27 | 0.69 | 0.83 | 0.86 | ||
Rc | 0.61 | 0.69 | 0.68 | 0.69 | ||
Mean overall figure of merit | 0.62 | |||||
Refinement (against Native1) | ||||||
Resolution, Å | 6.0–2.5 | |||||
R factor/free R factor, % | 21.2/33.0 | |||||
Reflections, |F| > 2.0σ|F| working/test | 9,726/1,121 | |||||
Total no. of atoms | 1,809 | |||||
No. of water molecules | 86 | |||||
rms bond length, Å | 0.016 | |||||
rms bond angle, degrees | 2.07 | |||||
rms B-factor bonded atoms, Å2 | 2.29 |
rms, Root mean square.