Table 1. Crystallographic data and refinement statistics.
Diffraction data | ||||
Data set | Native | SeMet λ1 | SeMet λ2 | SeMet λ3 |
Wavelength, Å | 0.9793 | 0.9795 | 0.9800 | 0.9757 |
Resolution, Å | 70.7-1.45 | 50-2.3 | 50-2.3 | 50-2.3 |
Rsym, % | 5.8 | 3.8 | 3.8 | 4.0 |
Completeness | 93.7 | 99.7 | 99.7 | 99.6 |
I/σ(I) | 13.7 | 17.0 | 16.4 | 16.0 |
Phasing | ||||
Resolution, Å | 20-2.9 | |||
No. of sites | 5 | |||
Phasing power (ano/iso) | 0.9/0.2 | 0.6/0.7 | 0.8/— | |
Overall figure of merit | 0.50 | |||
Refinement | ||||
Resolution range, Å | 70.7-1.45 | |||
No. of reflections | 38,990 | |||
Total no. of atoms | 2,572 | |||
Rcryst/Rfree, % | 21.6/27.6 | |||
rmsd bond lengths, Å | 0.021 | |||
rmsd bond angles, ° | 1.7 | |||
Average B factor, Å2 | 29.8 | |||
rmsd B values, Å2 | 2.6 |
—, not applicable; rmsd, rms deviation.