Table 1.
Diffraction data and refinement statistics
| G6PD WT | G6PD Canton (R459L) | |
|---|---|---|
| Data collection | ||
| Beamline | SSRL BL12-2 | ALS BL 5.0.2 |
| Space group | F222 | P212121 |
| Cell dimensions | ||
| a, b, c (Å) | 60.6, 173.4, 215.9 | 127.1, 206.2, 211.8 |
| α, β, γ (°) | 90.0, 90.0, 90.0 | 90.0, 90.0, 90.0 |
| Wavelength (Å) | 1.0 | 1.0 |
| Resolution (Å) | 50.0–1.9 (1.95–1.90) | 50.0–2.6 (2.74–2.60) |
| CC (½) | 1.00 (0.82) | 1.00 (0.52) |
| Rmerge | 0.12 (0.79) | 0.15 (1.44) |
| I/σI | 11.0 (3.0) | 10.5 (1.6) |
| Completeness (%) | 95.3 (91.3) | 100.0 (100.0) |
| Redundancy | 5.7 (5.7) | 7.3 (7.5) |
| Refinement | ||
| Resolution (Å) | 50.0–1.9 | 50.0–2.6 |
| No. reflections | 37,018 | 171,050 |
| Rwork/Rfree | 17.2/21.2 | 18.7/21.1 |
| No. atoms | ||
| Protein | 3946 | 31,554 |
| Water | 406 | 537 |
| Other | 78 | 598 |
| B-factors (average) | ||
| Protein | 24.6 | 36.3 |
| Water | 34.9 | 45.7 |
| Other | 38.8 | 57.7 |
| R.m.s. deviation | ||
| Bond lengths (Å) | 0.015 | 0.014 |
| Bond angles (°) | 1.786 | 1.734 |
| PDB ID | 6E08 | 6E07 |