Table I. Crystallographic statistics.
| Data set | Native | IdU12 | IdU14 | IdU19 |
|---|---|---|---|---|
| Data collection | ||||
| resolution (Å) | 2.5 | 2.5 | 2.5 | 3.5 |
| reflections | 417 349 | 619 774 | 397 619 | 58 051 |
| (unique) | (19 931) | (19 126) | (19 327) | (7012) |
| <I/σ(I)> | 13.9 | 14.5 | 8.1 | 2.2 |
| completeness (%) | 99.6 | 98.5 | 99.8 | 97.9 |
| Rmerge (%)a | 4.5 | 4.9 | 6.9 | 18.6 |
| Phasing | ||||
| phasing power | 1.34 | 0.96 | 0.80 | |
| Rcullis | 0.59 | 0.74 | 0.76 | |
| Refinement | ||||
| resolution (Å) | 30.0–2.5 | |||
| reflections | 19 313 | |||
| R-factor (%)b | 22.53 | |||
| Rfree (%)c | 26.53 | |||
| r.m.s.d. bond length (Å) | 0.006 | |||
| r.m.s.d. bond angles (°) | 1.08 |
aRmerge = Σ|I – <I>|/ΣI, where I is the intensity of an individual measurement and <I> is the mean intensity value.
bR-factor = Σ||Fo| – |Fc||/Σ|Fo|, where Fo and Fc are the observed and calculated structure factor, repectively.
cRfree is the same as the R-factor calculated using 5% of total reflections selected randomly.