Table 2. X-ray data collection and refinement statistics for FbpA mutant E57A.
RMSD, root mean square deviation.
| Parameter | Value |
|---|---|
| Data collection | |
| Wavelength (Å) | 1.5418 |
| Resolution (Å) | 100–1.8 |
| Completeness (%)* | 97.7 (81.3) |
| I/σ(I) | 30.2 (3.1) |
| Rsym† | 0.053 (0.237) |
| Redundancy | 6.6 |
| Refinement statistics | |
| Resolution (Å) | 20-1.8 |
| Completeness for range (%) | 97.7 |
| Number of reflections‡ | 23715 |
| Working set | 22451 |
| Free set | 1264 |
| R-factor§, R-free | 0.202, 0.250 |
| No. of protein atoms | 4492 |
| No. of water molecules | 222 |
| Fe atoms | 1 |
| Mean B-factors (Å2) | 20.55 |
| RMSD from ideality | |
| Bond lengths (Å) | 0.008 |
| Bond angles (o) | 1.095 |
* Number in parentheses is the statistic for the highest resolution shell.
† Rsym=Σh(Σj|Ij,h−〈Ih〉|/ΣIj,h), where h=set of Miller indices and j=set of observations of reflection h.
‡ F>2.0σ.
§ R-factor=Σhkl|Fo−Fc|/Σhkl|Fo|.