Table 3.
Crystallographic Data and Model Statistics
| E322Y AP | |
|---|---|
| Data Collection | |
| Beamline | ALS 8.2.2 |
| Wavelength (Å) | 1.2825 |
| Space Group | P6322 |
| Unit Cell | |
| a (Å) | 161.6 |
| b (Å) | 161.6 |
| c (Å) | 139.3 |
| Resolution Range (Å) | 50-2.30 |
| Effective Resolution (I/σ = 2; Å) | 2.45 |
| No. of total reflections | 5283856 |
| No. of unique reflections | 86186 |
| Completeness (highest-res. shell) | 95.6 (66.6) |
| Redundancy (highest-res. shell) | 13.1 (7.5) |
| I/σ (highest-res. shell) | 12.6 (1.0) |
| Rmergea (%) | 17.4 |
| Refinement Statistics | |
| Rfactor (Rfree)b (%) | 18.1 (24.4) |
| No. of protein atoms | 6570 |
| No. of solvent atoms | 440 |
| No. of ligand atoms | 14 |
| Average B factor | 40.6 |
| RMSD bond lengths (Å) | 0.01 |
| RMSD bond angles (deg) | 1.0 |
a
Rmerge =Σ|Iobs−Iave|/ΣIobs.
b
Rfactor = Σ||Fobs| − |Fcalc||/Σ|Fobs|. See Brunger for a description of Rfree.67