TABLE 1.
Crystallographic summary
| CurM TE (SeMet) | CurM TE (native) | |
|---|---|---|
| Diffraction data | ||
| Space group | P21 | P21 |
| X-ray source | APS 23-ID-D | APS 23-ID-D |
| a, b, c (Å) | 74.1, 86.9, 87.1 | 74.5, 86.9, 87.6 |
| α, β, γ (o) | 90, 90.4, 90 | 90, 90.8, 90 |
| Wavelength (Å) | 0.97948 | 1.0332 |
| dmin (Å) | 2.14 (2.22-2.14)a | 1.68 (1.74-1.68) |
| Avgerage I/σI | 16.3 (5.5) | 18.1 (2.1) |
| Rsymb | 0.113 (0.362) | 0.059 (0.384) |
| Completeness | 99.5 (99.9) | 90.2 (49.8) |
| Average redundancy | 6.4 (6.3) | 3.4 (2.0) |
| Unique reflections | 60,147 | 114,584 |
| Refinement | ||
| Data range (Å) | 39.10–1.68 | |
| No. reflections | 108,718 | |
| Rwork/Rfreec | 0.164/0.209 | |
| Root mean square deviations | ||
| Bonds (Å) | 0.011 | |
| Angles (o) | 1.268 | |
| Avg B-factors (Å2) | ||
| Protein | 29.5 | |
| Water | 39.9 | |
| Ramachandran | ||
| Allowed | 99.9% | |
| Outliers | 0.1% | |
| Protein atoms | 8817 | |
| Water molecules | 1203 | |
a Outermost shell in parentheses.
b Including anomalous differences.
c The Rfree data set included a random 5% of reflections.