TABLE 1.
Statistics of data and structure
| Parameter/statistic | Datum |
|---|---|
| Crystal identity | GR/DAC/SRC1-4 |
| PDB code | 3BQD |
| X-ray source | APS-5ID |
| Space group | P62 |
| Resolution (Å) | 50.0-2.50 |
| No. of unique reflections | 22,367 |
| Completeness (%) | 99.0 |
| I/σ | 32.1 |
| Rsyma (%) | 9.9 |
| Refinement statistics | |
| Rfactorb (%) | 21.53 |
| Rfree (%) | 24.76 |
| RMSD for bond lengths (Å) | 0.008 |
| RMSD for bond angles (degrees) | 1.568 |
| Total no. of nonhydrogen atoms | 2,248 |
a
Rsym = Σ|Iavg − Ii|/ΣIi.
b
Rfactor = Σ|FP − FPcalc|/ΣFp, where FP and FPcalc are observed and calculated structure factors, Rfree was calculated from a randomly chosen 8% of reflections excluded from refinement, and Rfactor was calculated for the remaining 92% of reflections.