TABLE 1.
X-ray data and refinement statistics
| Parametera | Value or identifierb |
|---|---|
| Space group | C2 |
| Resolution (Å) | 50-2.10 (2.18-2.10) |
| X-ray source | 22-ID (SER-CAT) |
| Wavelength (Å) | 0.97625 |
| Completeness (%) | 98.2 (96.2) |
| Avg redundancy | 3.9 (3.6) |
| Rsym (%) | 4.8 (30.4) |
| <I>/<σI> | 26.9 (4.4) |
| Phasing (figure of merit): | |
| SOLVE | 0.44 |
| RESOLVE | 0.79 |
| Ramachandran (%): | |
| Favored | 85.4 |
| Allowed | 14.6 |
| Mean B value (Å2) for protein | 40.9 |
| Main chain | 39.4 |
| Side chain | 42.4 |
| Mean B value of all atoms | 40.8 |
| No. of protein atoms | 1,343 |
| No. of waters | 42 |
| No. of reflections refined/no. free | 9573/500 |
| Rwork/Rfree (%) | 21.8/25.9 (25.7/26.4) |
a
Rsym = ΣhΣi|Ih,i − 〈Ih〉|/ΣhΣi|Ih,i Where Ih,i is the ith measurement of intensity for reflection h and 〈Ih〉 is the average intensity of that reflection; Rwork/Rfree = Σh|Fp − Fc|/Σh|Fp, where Fp is the observed structure factor and Fc is the calculated structure factor amplitude for reflection h for the working set and free set, respectively.
b
Values in parentheses are for the highest-resolution bin.