Table 1.
Statistics for X-ray data collection and refinement
| Native MexT RD | Se-Met MexT RD | |
|---|---|---|
| Data collection | ||
| Beamline | PAL 5C | PAL 5C |
| Wavelength (Å) | 0.97960 | 0.97940 |
| Space group | P21212 | P21212 |
| Cell dimensions | ||
| a, b, c (Å) | 65.7, 108.7, 109.2 | 65.9, 108.7, 109.3 |
| α, β, γ (°) | 90, 90, 90 | 90, 90, 90 |
| Resolution (Å) | 50-2.00 (2.03-2.00)a | 50-2.30 (2.34-2.30)a |
| Rmergeb | 0.042 (0.50) | 0.10 (0.83) |
| I/σI | 23.76 (2.91) | 13.07 (2.08) |
| Completeness (%) | 97.1 (93.6) | 98.8 (94.4) |
| Redundancy | 5.6 (3.7) | 7.9 (3.5) |
| Refinement (PDB code : 6L33) | ||
| Resolution (Å) | 31.8-2.0 | |
| No. of reflections | 50,630 | |
| Rwork/Rfreec | 0.21/0.25 | |
| No. of total atoms | 6,365 | |
| Wilson B-factor (Å) | 22.18 | |
| RMSD | ||
| Bond lengths (Å) | 0.003 | |
| Bond angles (°) | 0.67 | |
| Ramachandran plot | ||
| Favored (%) | 97.0 | |
| Allowed (%) | 3.0 | |
| Outliers (%) | 0.0 | |
| PDB ID | 6L33 | |
RMSD, root mean square deviation.
a
Values in parentheses are for the highest-resolution shell.
b
Rmerge = ΣhklΣi|Ii(hkl) − [I(hkl)]|/ΣhklΣiIi(hkl), where Ii(hkl) is the intensity of the ith observation of reflection hkl and [I(hkl)] is the average intensity of the i observations.
c
Rfree calculated for a random set of 10% of reflections not used in the refinement.