Table 1.
Statistics of data processing and refinement
| Data processing | |
| Resolution, Å | 22-1.8 (1.9-1.8) |
| Number of measurements | 86441 |
| Number of unique reflections | 8153 |
| Multiplicity | 10.6 (10.8) |
| Completeness of data, % | 99.7 (100) |
| Rmerge | 0.074 (0.286) |
| Refinement | |
| Resolution, Å | 22-1.8 (1.9-1.8) |
| Number of reflections in refinement/cross-validation | 7358 (795) |
| Number of protein atoms | 474 |
| Number of water molecules | 55 |
| Number of SO4 atoms | 5 |
| R-factor | 0.24 (0.24) |
| Rfree | 0.30 (0.35) |
| Overall anisotropic B factors, scaling Fo − Fc | |
| B11 | −6.1 |
| B22 | −9.0 |
| B33 | 23.9 |
| B12 | −5.1 |
| Average B factor, Å | 32.2 |
| rms deviations | |
| Bond distance, Å | 0.016 |
| Angle distance, Å | 0.034 |
| Overall error in coordinates from Rfree, Å | 0.15 |
| procheck validation | |
| Ramachandran plot (most favored/additional allowed) | 94.0/6.0 |
| Overall G-factor | −0.2 |
Rmerge is defined as Σ|I − 〈I〉|/ΣI. R-factor = Σ∥Fo| − |Fc∥/Σ|Fo|, where |Fo| and |Fc| are the observed and calculated structure factors, respectively. Rfree is the same as R-factor but calculated with 10% of the data excluded from refinement.