Table 1 Diffraction data and refinement statistics
From: Correcting glucose-6-phosphate dehydrogenase deficiency with a small-molecule activator
| Â | G6PD WT | G6PD Canton (R459L) |
|---|---|---|
Data collection | Â | Â |
 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 | Â | Â |
 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 |
