Table 4.
Data collection and refinement statistics.
| NQO1 R139W | |
|---|---|
| Data collection | |
| X-ray source | SLS-X06DA |
| Wavelength (Å) | 1.0 |
| Temperature | 100 K |
| Space group | P1 |
| Cell dimensions | |
| a, b, c (Å) | 54.61, 59.93, 99.83 |
| α, β, γ (°) | 100.37, 92.85, 90.22 |
| Resolution (Å)a | 49.03–2.09 (2.17–2.09) |
| Total reflections | 194 450 (16 603) |
| Unique reflections | 67 587 (5937) |
| Multiplicitya | 2.9 (2.8) |
| Completeness (%)a | 97.1 (86.89) |
| Rmeas | 0.093 (0.339) |
| Rmerge | 0.076 (0.296) |
| <I/σI>a | 12.27 (4.1) |
| CC1/2a | 0.995 (0.906) |
| CCa | 0.999 (0.975) |
| Refinement | |
| Resolution (Å) | 49.03–2.09 |
| Rwork/Rfree | 0.1693/0.2013 |
| No. of atoms | |
| Protein | 8659 |
| Cofactor/ligands | 240 |
| Water | 1052 |
| Mean B-factors (Å2) | |
| Protein | 23.40 |
| Cofactor/ligands | 26.60 |
| Water | 32.30 |
| All atoms | 24.40 |
| R.m.s. deviations | |
| Bond lengths (Å) | 0.004 |
| Bond angles (°) | 0.95 |
| Ramachandran outliers (%) | 0 |
| PDB-entry | 5A4K |
a
Values in parentheses are for the highest resolution shell.